data_2lcf_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 2lcf _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 ' 1' ' ' MET . . . . . . . . . . . . . 9.3 tpp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.003 0.43 . . . . 71.23 111.235 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.423 HG21 ' CE2' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -119.29 145.47 46.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.77 -0.65 . . . . 75.32 110.605 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -95.86 120.31 35.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.82 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.423 ' CE2' HG21 ' A' ' 2' ' ' THR . 54.5 m-85 -111.21 103.12 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 73.13 110.986 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 94.26 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 75.01 110.618 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.6 mt -88.06 101.72 14.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.083 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.1 t -87.51 108.5 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.11 110.893 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -89.39 145.43 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 70.23 111.21 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.3 m -129.51 157.36 42.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 73.13 110.965 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.49 154.31 19.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.574 -0.822 . . . . 71.4 112.648 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.85 -18.72 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.733 0.301 . . . . 74.35 111.438 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.0 -58.12 0.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.829 -0.701 . . . . 73.2 112.343 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.85 26.08 8.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 75.34 112.428 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -77.74 -19.37 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.685 0.279 . . . . 72.11 111.524 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.75 13.76 11.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 55.52 112.45 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -58.81 -52.57 65.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.896 0.379 . . . . 71.55 110.716 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -72.77 -25.43 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 53.35 110.963 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.22 -38.53 78.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.382 -0.372 . . . . 63.22 111.13 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.91 -36.9 72.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 72.03 110.893 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.7 m -68.11 -55.4 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 74.04 110.825 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.7 mm -55.16 -31.24 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 74.23 110.927 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -74.66 -44.98 47.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 71.1 110.791 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -11.32 60.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.996 -0.547 . . . . 74.45 111.17 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.1 mm -111.03 -71.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 75.54 111.317 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -84.48 -25.63 28.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.12 111.373 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.828 0.347 . . . . 71.33 110.784 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.716 0.294 . . . . 71.35 110.811 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.7 ptt85 -146.13 116.73 7.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.405 . . . . 75.43 110.857 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -108.93 148.15 31.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.998 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -101.72 120.36 40.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.601 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.37 -178.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 71.32 111.254 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.1 p -124.97 107.97 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.513 . . . . 73.54 111.089 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.83 101.52 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 73.55 111.139 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.17 44.21 22.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 75.33 111.042 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.17 20.45 64.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 63.51 112.626 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -123.4 93.21 3.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.909 0.385 . . . . 73.22 110.871 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.9 m -59.92 119.99 8.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 73.45 111.033 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.6 m -150.95 153.95 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 71.21 110.777 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.79 147.01 28.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 74.15 111.047 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.2 mt -126.81 94.15 3.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.31 110.725 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.93 91.22 8.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 71.04 111.181 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.417 ' CD1' ' N ' ' A' ' 55' ' ' ILE . 1.7 mp -83.85 113.44 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 71.44 110.632 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.07 122.66 33.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 75.03 110.733 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -104.06 104.3 14.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 74.55 110.736 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 p -85.74 -173.78 4.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 73.54 110.97 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 74.52 111.261 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.3 mmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.782 0.325 . . . . 71.11 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -31.61 62.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 70.41 110.987 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.27 -28.4 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.866 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -74.81 -39.66 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 73.13 110.915 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.59 -53.68 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 74.0 111.075 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.3 mtt -52.04 -43.52 63.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.267 -0.424 . . . . 70.13 110.988 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.413 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 73.0 mtp180 -67.18 -21.2 65.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 73.01 111.0 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.9 p -105.13 -0.97 26.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 72.42 111.494 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.87 129.72 9.85 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.5 -0.857 . . . . 73.02 112.866 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -74.49 -22.3 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 74.24 110.804 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.28 171.31 36.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.987 -0.625 . . . . 70.33 112.245 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -135.25 139.9 44.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 64.54 111.027 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.6 120.63 38.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.833 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.6 m -91.03 112.91 25.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 74.12 110.967 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.3 t -101.01 121.06 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 65.44 111.064 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.65 147.88 52.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.791 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.75 123.68 40.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 64.22 110.937 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.8 pt -61.12 -26.69 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.4 110.963 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.44 -26.13 23.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.966 -0.561 . . . . 73.21 110.964 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -103.4 110.18 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.38 -0.373 . . . . 73.43 110.937 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -71.61 -22.3 61.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 73.41 110.973 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -59.17 -41.04 87.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.857 0.36 . . . . 75.5 110.584 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 56.1 p -59.42 -47.38 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.027 -0.533 . . . . 64.13 110.613 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.425 ' CE2' ' HG2' ' A' ' 129' ' ' GLN . 43.5 t80 -56.72 -23.2 40.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.999 -0.546 . . . . 75.15 110.806 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -79.26 -52.32 8.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 73.31 111.072 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -31.23 68.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 44.31 111.131 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 11.9 mm -61.6 -26.83 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 120.806 0.336 . . . . 75.32 110.737 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -73.55 -55.41 6.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.218 -0.447 . . . . 74.34 110.628 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -66.18 -28.48 68.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 70.14 110.975 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -56.93 -44.23 82.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 72.54 110.934 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -59.8 -39.91 86.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.999 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.94 -32.8 68.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.31 111.035 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -36.1 82.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.417 . . . . 74.4 110.79 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.9 mt -67.63 -48.82 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.987 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -55.38 -29.63 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 74.44 111.018 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -71.24 -58.73 3.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 75.23 110.806 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.413 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 41.0 t -58.1 -58.97 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 74.45 110.94 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -59.85 -23.7 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 73.23 110.805 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.7 t70 62.62 45.96 5.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.268 -0.423 . . . . 70.03 110.757 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.73 141.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.867 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.55 -31.45 68.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 74.42 110.811 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -78.9 97.4 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.35 110.737 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.421 ' CG1' ' HD2' ' A' ' 110' ' ' PRO . 49.6 t -136.59 136.47 21.94 Favored Pre-proline 0 N--CA 1.452 -0.375 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.925 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.421 ' HD2' ' CG1' ' A' ' 109' ' ' VAL . 57.3 Cg_endo -71.72 108.01 2.32 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.834 2.356 . . . . 73.22 112.207 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 13.8 ptp -150.67 169.89 20.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 73.25 110.883 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.9 t -145.25 145.87 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 73.13 111.138 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.96 113.48 26.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 75.34 110.712 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.05 147.61 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 52.01 111.321 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.42 83.63 0.33 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.878 -0.677 . . . . 73.24 112.422 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -64.94 171.06 3.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.824 0.345 . . . . 65.03 111.001 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.56 47.46 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 75.51 110.815 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.56 16.61 13.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 64.15 111.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -110.48 -30.11 7.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.745 0.307 . . . . 75.3 111.017 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.23 162.67 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.437 . . . . 73.52 111.149 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -111.26 26.68 10.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 60.14 111.508 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.21 66.64 1.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 62.03 111.205 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -84.08 140.71 31.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 75.13 111.05 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.1 p -108.38 -43.9 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 75.44 110.783 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 98.4 t -92.83 106.91 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 72.23 110.876 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.77 163.82 23.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.34 110.861 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.3 p -56.97 -29.33 63.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 72.23 111.094 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 32.3 tpt85 -56.0 -53.99 50.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 72.54 110.851 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.425 ' HG2' ' CE2' ' A' ' 90' ' ' PHE . 2.8 tt0 -61.0 -46.6 90.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.061 -0.518 . . . . 75.14 110.931 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.42 ' HB1' ' CZ ' ' A' ' 141' ' ' TYR . . . -59.7 -30.92 69.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 70.41 111.186 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -33.08 62.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 72.11 111.021 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -54.23 -47.28 72.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 70.4 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.5 mt -67.12 -47.47 71.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 75.42 111.145 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.41 ' HA ' HG13 ' A' ' 139' ' ' ILE . . . -64.86 -32.41 74.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.418 . . . . 62.13 111.034 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -33.64 33.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.644 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.6 t -77.74 -33.06 53.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 51.13 110.713 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.477 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.9 m-85 -88.25 -14.41 38.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.037 -0.529 . . . . 64.24 111.147 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.47 21.32 72.85 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.676 -0.773 . . . . 50.54 112.576 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.477 HG12 ' HB2' ' A' ' 137' ' ' TYR . 6.9 pt -110.34 156.63 39.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 75.31 111.577 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -70.65 156.8 60.29 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.53 2.153 . . . . 75.43 112.355 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.42 ' CZ ' ' HB1' ' A' ' 130' ' ' ALA . 24.8 t80 -127.51 117.0 21.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 75.24 110.784 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 mp -121.09 152.59 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.925 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.17 130.24 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.409 . . . . 72.2 110.899 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 30.5 p -142.39 176.06 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.943 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 p -148.14 121.47 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.815 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.28 -24.26 62.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 71.2 111.515 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -77.06 -57.21 3.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.424 -0.353 . . . . 74.11 111.219 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 40.8 p -83.74 -23.42 31.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 70.12 111.398 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 68.02 64.06 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.99 0.424 . . . . 71.34 110.805 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -113.15 120.27 40.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.029 -0.532 . . . . 73.32 110.957 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 54.75 27.29 42.81 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.855 -0.688 . . . . 72.24 112.739 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.7 t -56.34 -56.09 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 74.14 111.236 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -64.93 -27.48 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.944 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -35.47 71.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 71.15 110.868 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -72.2 -43.71 64.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 73.12 111.094 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -64.24 -49.41 72.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.92 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -52.61 -40.45 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 73.41 111.375 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 7.2 m -54.75 -37.43 65.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.853 0.359 . . . . 74.31 111.005 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.41 -47.08 82.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 75.55 110.699 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 8.1 t -56.35 -34.46 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 55.52 111.002 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -65.86 -48.46 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 73.24 110.907 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.31 -47.25 82.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 73.01 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.431 HG23 HD11 ' A' ' 163' ' ' ILE . 40.7 mt -58.99 -57.42 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.165 -0.471 . . . . 72.32 110.931 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -40.61 27.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.867 -0.606 . . . . 74.51 111.141 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -59.54 -33.87 71.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.824 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.256 -0.878 . . . . 73.41 110.888 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.797 0.332 . . . . 73.14 111.14 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.1 149.76 24.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.875 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -102.83 107.14 17.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 74.24 110.746 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -97.08 146.19 25.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 63.11 110.961 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.8 100.55 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.729 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.2 mt -97.93 123.73 42.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 74.41 111.178 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.419 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 94.1 t -105.15 102.23 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 116.162 -0.472 . . . . 73.41 110.807 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 t -85.75 132.91 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 71.43 111.199 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 m -109.64 168.85 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 74.32 111.082 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.65 149.93 21.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 73.01 112.529 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.87 10.42 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.635 0.255 . . . . 75.53 111.534 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.56 58.02 2.0 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.615 -0.802 . . . . 70.44 112.687 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.38 43.23 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 74.11 112.547 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.3 m -119.06 -6.35 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 111.764 0.283 . . . . 64.12 111.764 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.9 21.14 40.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 75.33 112.553 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -58.39 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 75.3 110.787 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.63 -30.87 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.05 -50.92 52.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 74.22 111.039 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.1 mt -53.64 -43.72 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 74.52 110.942 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.0 m -65.23 -52.37 55.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 73.24 110.74 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.6 -28.99 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.943 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -67.07 -38.39 85.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 74.45 110.894 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.76 -11.74 59.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 72.44 111.469 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.1 mm -114.27 -67.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.784 0.326 . . . . 64.42 111.411 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -80.78 -28.66 36.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.308 -0.405 . . . . 74.22 111.093 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.275 -0.421 . . . . 73.22 110.987 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.867 0.365 . . . . 71.44 110.85 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.74 165.18 27.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 74.33 110.822 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tttt -149.27 145.81 27.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.858 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -108.31 119.4 39.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.928 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.5 m -135.08 -178.47 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 71.3 111.079 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.2 101.59 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 72.53 111.101 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.4 mt -115.01 131.48 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 75.23 111.014 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 61.78 32.59 18.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 61.12 110.852 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.7 28.45 71.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.7 -0.762 . . . . 71.23 112.448 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -142.91 112.83 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 73.32 110.857 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -58.83 123.21 15.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.881 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 64.2 m -144.06 145.31 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.906 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.72 149.78 32.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 74.12 110.894 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.3 mt -126.7 82.36 2.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.873 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.11 95.95 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 62.51 110.965 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.2 mm -79.63 108.43 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.959 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -84.23 118.96 24.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.23 111.035 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -109.65 76.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.762 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.418 HG22 ' CD2' ' A' ' 71' ' ' TYR . 17.2 p -75.37 -176.46 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 72.33 111.06 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.996 -0.547 . . . . 75.12 111.263 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.81 0.338 . . . . 71.03 110.945 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -67.42 -30.73 70.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 72.42 110.995 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.08 -27.35 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 75.22 110.664 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -72.49 -38.75 68.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 63.13 110.698 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.418 ' CD2' HG22 ' A' ' 58' ' ' THR . 8.1 m-85 -75.89 -45.48 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.916 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.8 mtt -54.36 -50.81 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.417 . . . . 72.25 110.722 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -62.58 -27.62 69.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.966 -0.561 . . . . 74.34 111.043 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.8 p -98.2 18.07 17.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.067 -0.515 . . . . 75.21 111.351 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.86 125.93 6.77 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.428 -0.891 . . . . 63.3 112.617 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.98 -27.72 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.711 0.291 . . . . 75.22 110.829 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.27 -171.12 18.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.797 -0.716 . . . . 71.54 112.373 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.419 ' CD1' ' HB ' ' A' ' 7' ' ' VAL . 98.8 m-85 -147.18 145.08 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 75.13 111.055 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.89 122.79 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 74.03 110.813 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 23.8 m -97.85 119.88 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 75.4 110.862 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.4 t -107.34 105.96 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 73.4 111.121 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.4 ' CD1' ' HA2' ' A' ' 115' ' ' GLY . 0.1 OUTLIER -113.19 156.92 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.693 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.85 125.15 50.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 71.43 111.161 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 pt -61.4 -28.92 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.701 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -83.33 -24.82 31.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 72.31 110.743 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -105.51 102.43 11.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 63.03 110.974 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.5 m -64.07 -29.8 70.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 73.33 110.912 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -56.48 -43.15 79.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.44 111.018 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.2 p -58.95 -47.5 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 70.25 110.797 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -57.04 -29.55 63.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 74.42 110.793 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -79.82 -40.51 28.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 71.23 110.844 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.406 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 1.1 m-20 -69.96 -31.18 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 74.04 110.914 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.3 mm -63.84 -29.56 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.301 -0.409 . . . . 73.44 110.541 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -69.93 -55.46 9.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 73.11 110.441 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -66.06 -28.3 68.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 75.33 110.882 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 2.0 m-85 -61.88 -42.18 98.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 74.51 110.923 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.4 ttt85 -57.15 -36.38 70.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 75.3 111.007 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.06 -29.92 67.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.95 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -44.42 80.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.422 . . . . 62.2 110.905 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.411 HG23 ' CD2' ' A' ' 78' ' ' PHE . 12.7 mt -60.29 -52.34 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 64.45 110.917 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -52.33 -25.92 10.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 75.0 111.239 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -73.97 -58.52 3.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 73.32 110.813 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.45 -53.25 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.977 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -65.0 -25.83 68.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 75.12 110.893 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.5 t0 64.57 45.11 3.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.969 0.414 . . . . 73.15 110.778 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -171.61 156.78 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 73.45 110.911 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -84.95 -36.26 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 51.15 110.778 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.47 97.74 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 64.22 110.845 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.401 ' CG1' ' HD2' ' A' ' 110' ' ' PRO . 61.0 t -131.63 136.21 28.12 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.661 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.401 ' HD2' ' CG1' ' A' ' 109' ' ' VAL . 57.3 Cg_endo -72.22 102.62 1.39 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.826 2.351 . . . . 74.33 112.322 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 18.2 ptp -147.05 168.96 20.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 72.52 110.918 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.3 t -143.52 144.48 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.09 -0.505 . . . . 61.53 111.159 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.8 tp -107.31 125.97 51.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 74.33 110.662 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.24 144.57 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 72.44 111.229 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.4 ' HA2' ' CD1' ' A' ' 82' ' ' PHE . . . -108.05 72.42 0.21 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.791 -0.719 . . . . 62.23 112.272 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.41 172.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 74.3 111.129 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.38 45.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 75.12 111.063 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.6 p -89.84 9.16 28.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 74.41 111.277 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -106.2 -37.1 6.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.8 0.333 . . . . 75.03 110.76 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 26.2 mt -55.62 137.14 49.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.97 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.57 39.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 74.41 111.217 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.48 34.56 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 54.33 111.001 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -54.48 144.73 20.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.405 . . . . 73.43 111.12 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 34.7 p -112.94 -43.37 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 70.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.39 102.66 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 75.1 110.906 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -56.72 162.97 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 75.05 111.057 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.7 m -58.48 -42.56 87.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 53.51 111.018 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -54.81 -48.29 72.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 72.13 110.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -62.19 -35.9 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.985 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.34 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.3 111.204 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.63 -35.37 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 74.32 110.992 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -58.41 -37.11 74.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 74.12 110.957 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.2 tp -74.77 -51.1 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.53 110.87 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.42 98.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.01 111.121 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -59.09 -30.75 68.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 74.44 111.02 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -39.7 64.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 71.33 110.67 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -70.83 -21.45 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 75.35 111.094 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.58 16.93 65.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 71.42 112.524 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.2 pt -112.54 157.2 40.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.672 0.272 . . . . 72.04 111.51 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.35 163.97 34.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.644 2.229 . . . . 73.03 112.295 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -137.87 118.4 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 74.52 110.898 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.2 mp -117.53 154.34 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 74.44 111.035 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.4 130.35 56.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 74.32 110.723 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.1 p -145.05 -174.34 4.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 54.42 111.25 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.1 p -151.99 123.71 7.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.983 -0.553 . . . . 72.02 110.751 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.77 -27.66 63.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.22 111.511 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -79.33 -56.97 3.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.353 -0.385 . . . . 70.12 111.206 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 p -79.69 -22.48 43.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.206 -0.452 . . . . 74.51 111.124 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.99 60.35 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.994 0.426 . . . . 75.51 110.78 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.37 124.32 50.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.918 -0.583 . . . . 62.23 110.798 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 53.72 24.86 27.22 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.763 -0.732 . . . . 72.32 112.764 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 98.0 t -54.37 -56.02 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-O 120.819 0.342 . . . . 74.43 111.245 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.41 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 2.2 mp0 -66.0 -25.96 67.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.791 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -40.12 80.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 52.12 110.94 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -66.83 -49.05 66.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 75.24 111.07 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -61.4 -44.68 96.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.907 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.41 ' CD2' ' O ' ' A' ' 153' ' ' GLU . 16.3 m-85 -56.12 -34.47 66.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 74.23 111.072 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.0 m -61.02 -38.4 85.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 70.14 110.872 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -39.45 68.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 74.22 111.004 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.53 -47.51 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 71.12 111.071 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -60.8 -27.1 67.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.993 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -74.36 -48.01 30.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 71.12 111.015 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 34.3 mt -65.64 -36.91 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.231 -0.44 . . . . 73.43 111.13 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.23 -26.73 68.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 74.55 111.334 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -96.46 -23.24 16.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.532 -0.304 . . . . 74.51 111.362 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.418 -0.801 . . . . 73.35 111.136 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.786 0.327 . . . . 75.41 111.188 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.412 HG21 ' CE2' ' A' ' 4' ' ' TYR . 6.6 t -85.97 149.76 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.948 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.66 130.19 54.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 74.23 110.877 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.412 ' CE2' HG21 ' A' ' 2' ' ' THR . 35.1 m-85 -129.3 124.24 33.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.968 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.51 99.35 12.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.772 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.59 104.78 13.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 73.14 111.144 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.8 t -94.43 102.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 71.43 110.98 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.4 t -93.46 139.29 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 75.25 111.108 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.2 m -121.12 179.67 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 65.5 110.928 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.32 174.01 38.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.59 -0.814 . . . . 73.52 112.561 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.54 21.07 16.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.676 0.274 . . . . 73.34 111.286 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.15 -77.4 0.52 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.607 -0.806 . . . . 53.41 112.658 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.22 50.76 3.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.882 -0.675 . . . . 64.32 112.894 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -119.16 -4.86 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.614 0.227 . . . . 72.43 111.614 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.05 25.2 71.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.64 -0.79 . . . . 71.31 112.364 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -37.97 88.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 75.53 110.99 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 p -75.53 -30.15 59.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.34 110.861 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.2 -51.21 70.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 63.52 111.184 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.7 mt -58.88 -37.29 76.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 74.4 110.919 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -59.12 -55.89 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 73.51 110.744 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.6 mm -68.88 -28.05 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 72.21 110.969 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.18 -37.62 75.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 65.31 110.945 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.0 tp -76.04 -47.55 24.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.98 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.421 HG22 HD13 ' A' ' 24' ' ' ILE . 18.9 mm -72.14 -65.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 75.0 110.837 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -130.1 93.71 3.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 74.51 110.531 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 75.34 111.249 -179.634 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.814 0.34 . . . . 64.41 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -135.64 112.58 10.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 74.21 110.927 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.15 146.31 40.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.031 0.443 . . . . 74.23 110.914 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -108.37 127.06 53.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.911 -0.586 . . . . 75.43 110.893 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.85 -179.5 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 72.1 111.087 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.1 t -124.19 100.79 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 75.02 111.072 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.6 mm -86.12 99.74 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 73.11 111.05 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 61.42 53.49 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 72.4 110.842 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.23 27.99 73.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 70.5 112.536 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -136.74 106.61 6.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 73.21 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.2 m -61.31 143.46 55.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.935 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -159.72 142.73 14.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 71.23 111.019 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.04 134.8 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 73.43 110.695 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.9 mt -121.68 109.26 14.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 64.14 110.899 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -100.97 97.78 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.834 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.7 mm -85.96 112.28 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 64.32 111.076 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.424 HD23 ' CD2' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -90.24 129.35 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 73.02 110.633 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -108.78 104.79 14.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 74.32 110.627 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.2 p -75.38 -173.71 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 64.25 110.84 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 61.32 111.077 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.2 mtm . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.832 0.348 . . . . 72.51 110.831 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -55.82 -32.23 63.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 75.33 111.032 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.2 -30.99 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 54.34 110.637 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -68.0 -40.84 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 64.12 110.661 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.424 ' CD2' HD23 ' A' ' 56' ' ' LEU . 11.1 m-85 -70.33 -32.02 69.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 72.12 111.037 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.1 mtt -61.19 -53.35 58.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 74.41 110.854 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.2 mtm105 -60.59 -22.95 64.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 71.45 110.929 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.1 p -109.55 19.2 19.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 74.22 111.254 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.49 154.47 16.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.579 -0.82 . . . . 71.44 112.652 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.56 4.54 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.687 0.28 . . . . 72.55 111.369 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.26 165.68 36.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.679 -0.772 . . . . 74.22 112.555 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.416 ' CE2' HG21 ' A' ' 100' ' ' ILE . 68.1 m-85 -140.37 144.22 36.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 72.21 110.955 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.0 120.33 31.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 73.33 110.887 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 33.1 m -92.31 115.28 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 70.22 110.929 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.08 114.58 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.01 111.026 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -121.84 148.89 44.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 74.52 110.728 179.874 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.39 127.89 42.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 64.4 111.072 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 pt -59.07 -29.06 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 72.54 111.044 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -86.31 -25.41 25.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.854 -0.612 . . . . 73.22 111.011 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.02 96.5 7.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.359 -0.382 . . . . 62.13 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.4 m -62.31 -27.2 68.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 73.45 111.006 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -58.29 -36.39 73.24 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.886 0.374 . . . . 75.04 110.499 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.1 p -62.29 -51.37 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 71.32 110.49 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.405 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 76.2 t80 -55.22 -25.65 34.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.546 . . . . 74.43 110.961 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.9 -56.51 4.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 73.11 111.122 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -63.67 -33.41 75.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 75.5 111.176 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.9 mm -60.13 -26.26 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 116.486 -0.325 . . . . 73.33 110.919 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -74.98 -55.39 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 73.22 110.611 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -66.8 -28.4 68.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.967 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -57.04 -37.14 71.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 75.02 110.904 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -39.28 79.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.574 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -54.2 -32.25 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.971 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -40.39 95.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.729 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.416 HG21 ' CE2' ' A' ' 78' ' ' PHE . 9.9 mt -70.22 -34.1 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.33 110.99 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -61.59 -35.4 77.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 75.51 110.896 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -74.52 -58.72 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.12 110.864 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.09 -57.56 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 73.43 111.102 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -66.02 -27.0 67.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.912 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.2 t70 62.33 47.19 5.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 74.3 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.68 139.31 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 72.53 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -71.33 -33.52 69.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 75.5 110.921 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -94.83 92.37 6.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.939 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.6 m -121.1 152.63 57.11 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 73.1 111.013 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.31 102.9 1.43 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.614 2.21 . . . . 72.45 112.271 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 9.0 ptp -154.69 166.43 33.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.381 . . . . 73.24 111.098 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.5 t -144.16 151.59 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 74.42 111.086 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.9 tp -111.89 114.47 27.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.53 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 39.0 t -109.73 153.18 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 75.54 111.03 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -118.94 91.12 0.5 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 74.21 112.499 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -71.34 177.63 3.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.333 . . . . 74.12 110.881 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.7 mttt 63.05 38.41 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.0 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 13.0 t -72.42 -24.52 61.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 72.52 110.983 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -72.97 -24.32 60.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 74.13 111.153 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -50.66 142.79 10.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.436 -0.347 . . . . 64.01 111.121 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.73 22.15 7.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 70.25 111.43 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.38 71.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.433 -0.349 . . . . 62.15 110.961 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.03 85.01 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 74.12 110.948 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 23.2 p -57.78 -33.86 68.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 72.43 110.806 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.2 t -103.59 95.09 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.114 -0.494 . . . . 75.55 110.82 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -55.04 167.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 71.53 111.012 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.1 p -63.64 -38.4 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 65.51 111.065 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -59.81 -52.7 64.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.941 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -56.02 -42.15 76.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 74.1 110.994 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.12 -31.23 64.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 71.24 111.043 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -38.71 81.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 64.24 110.864 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -34.36 71.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 71.02 110.905 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.2 tp -75.6 -50.47 15.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.9 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.24 82.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 73.21 111.13 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -62.52 -32.66 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 74.44 110.92 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -29.37 62.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 74.43 110.681 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -86.39 -20.08 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 75.4 111.191 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.31 21.4 70.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.597 -0.811 . . . . 64.25 112.409 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 4.0 pt -114.46 156.58 44.36 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.719 0.295 . . . . 75.2 111.218 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.38 149.25 62.66 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.569 2.18 . . . . 64.51 112.158 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -114.18 105.89 13.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.874 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.82 145.55 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 75.13 111.134 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -117.82 121.51 40.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.759 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 18.7 p -138.67 -179.78 6.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 75.35 111.055 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.34 128.27 16.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 73.43 110.82 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.66 -23.45 62.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 72.32 111.438 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -82.56 -66.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.853 0.358 . . . . 74.24 111.07 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.8 p -68.98 -23.2 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.53 111.113 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.45 65.51 0.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.003 0.43 . . . . 75.23 110.792 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.26 121.2 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 72.22 110.912 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 62.14 18.52 57.85 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 70.41 112.805 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.0 t -55.25 -55.5 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.916 0.389 . . . . 75.3 111.141 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.42 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 6.3 mt-10 -63.66 -28.63 70.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.519 . . . . 71.44 110.865 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -58.2 -47.57 83.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 71.3 110.994 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.98 -48.1 83.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 62.14 111.084 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -59.78 -49.14 78.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 74.04 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 19.0 m-85 -54.64 -36.99 65.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 74.44 111.018 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 3.9 m -57.04 -38.42 73.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 75.35 110.941 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -44.2 91.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 64.35 110.808 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.2 t -59.07 -41.73 84.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 71.43 111.02 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -67.64 -28.83 68.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 73.24 110.942 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.86 -49.95 33.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 73.4 110.896 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.43 HD13 HG21 ' A' ' 163' ' ' ILE . 34.3 mt -57.57 -57.56 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 120.986 0.422 . . . . 75.41 110.973 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -33.32 54.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.868 -0.605 . . . . 74.03 111.015 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -31.9 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.756 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 81.0 t60 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.254 -0.879 . . . . 74.52 110.82 179.904 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.787 0.327 . . . . 73.3 111.19 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.74 149.66 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 63.15 110.774 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.42 108.8 20.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.865 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -98.9 124.3 43.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -98.41 97.2 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 75.52 110.656 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.8 123.5 34.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 75.54 111.039 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.424 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 87.0 t -113.66 102.26 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 74.41 111.057 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.8 t -85.02 143.07 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.417 . . . . 75.23 110.949 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 m -113.18 160.3 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 73.31 111.098 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.92 148.16 19.78 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.806 -0.711 . . . . 53.42 112.394 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.06 -17.61 13.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.68 0.276 . . . . 70.14 111.394 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.06 76.7 0.52 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.767 -0.73 . . . . 53.1 112.427 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.64 35.33 2.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 75.41 112.44 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.49 -26.37 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 72.54 111.201 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.4 25.09 7.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 43.25 112.488 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -58.37 8.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.868 0.365 . . . . 75.44 110.791 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -30.13 70.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 64.51 111.018 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.83 70.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.1 111.115 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -36.36 80.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 73.21 110.936 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.7 m -58.38 -50.43 73.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 71.14 111.077 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.85 -32.11 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 73.31 110.779 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -64.38 -37.61 88.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 72.02 110.674 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.427 HD12 ' CD2' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -76.65 -15.26 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 73.42 111.322 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mm -106.56 -69.58 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.758 0.314 . . . . 74.21 111.524 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -84.82 -26.83 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 74.53 111.308 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 72.4 110.939 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.794 0.331 . . . . 72.0 110.773 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.84 115.09 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.899 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -106.18 149.47 26.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 73.52 110.849 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -100.93 120.23 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 73.41 110.967 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 m -133.63 178.01 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.401 . . . . 74.31 111.085 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.9 p -119.46 102.74 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 71.03 111.155 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.3 mm -86.7 116.07 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 74.34 111.118 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 57.9 31.95 21.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 74.5 111.06 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.68 3.82 85.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 71.55 112.854 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -109.13 107.13 17.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.873 0.368 . . . . 75.33 110.768 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -58.8 119.84 7.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.867 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.8 m -147.36 148.66 31.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 51.34 110.927 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.02 150.16 32.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 75.22 110.939 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.7 mt -126.59 87.69 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 74.21 110.854 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -81.58 92.12 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 72.45 110.943 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 23.4 mm -82.63 109.19 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 75.32 111.175 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.15 135.39 46.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 71.44 110.919 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -114.31 69.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.799 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.2 p -75.25 -173.76 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 72.11 110.759 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 73.33 111.192 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 16.2 ptp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.805 0.336 . . . . 73.42 111.083 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -55.56 -28.13 53.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.395 -0.366 . . . . 74.2 111.15 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -78.5 -29.46 46.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 65.15 111.065 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -76.26 -34.36 59.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.777 0.322 . . . . 73.45 110.954 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -78.42 -56.83 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 75.01 110.773 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.5 mtt -51.72 -48.44 63.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 62.41 110.874 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -60.81 -22.16 63.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 75.14 110.94 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.8 p -103.4 -1.14 29.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.47 . . . . 72.2 111.371 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -92.22 130.03 10.12 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.629 -0.796 . . . . 74.04 112.907 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.02 -22.4 58.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 73.31 110.677 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 179.56 30.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.873 -0.68 . . . . 74.32 112.192 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.424 ' CD1' ' HB ' ' A' ' 7' ' ' VAL . 93.1 m-85 -148.9 136.4 20.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 73.42 110.928 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.17 125.22 50.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 72.23 110.784 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 16.5 m -97.09 115.53 27.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 72.3 110.925 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.8 t -102.6 109.06 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 63.34 111.216 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.66 141.89 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 75.04 110.611 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.28 123.64 34.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 73.44 111.164 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.8 pt -65.14 -28.96 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.781 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.2 -31.05 30.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 63.12 110.584 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.18 103.53 13.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 73.41 110.991 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.0 m -66.86 -26.04 66.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.907 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -56.82 -49.9 74.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 71.03 111.138 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 p -54.45 -38.38 66.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 51.23 111.043 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -57.33 -29.0 63.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 71.21 110.904 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.87 -41.75 51.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.835 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.61 -32.24 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.842 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 11.0 mm -63.92 -25.75 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 116.352 -0.385 . . . . 75.33 110.747 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -75.86 -50.51 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.616 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -28.94 62.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.31 111.031 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.6 -41.36 98.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 74.3 110.805 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.421 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 59.9 ttt-85 -60.34 -42.06 94.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.807 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.45 -27.54 68.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 72.44 111.195 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -38.29 83.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.331 -0.395 . . . . 74.15 110.971 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.8 mt -60.93 -58.9 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 75.13 110.978 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -53.71 -37.92 63.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 74.15 111.07 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -57.54 -58.02 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 75.41 111.187 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 p -72.14 -30.9 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 71.44 111.409 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.74 -19.12 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.218 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 t70 65.8 48.45 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 74.4 110.729 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.48 122.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.906 -0.588 . . . . 75.13 110.737 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.48 -25.17 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 73.3 111.156 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -102.55 99.95 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.368 -0.378 . . . . 72.33 111.165 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.1 m -125.74 153.14 73.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 73.14 110.994 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.64 102.05 1.25 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.582 2.188 . . . . 74.44 112.35 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.8 ptp -147.11 168.46 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 54.34 110.944 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.6 t -143.77 147.72 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 75.42 111.196 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.9 tp -107.62 131.2 54.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 75.41 110.765 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.18 152.28 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 74.24 111.165 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.26 88.36 0.48 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.909 -0.662 . . . . 54.54 112.351 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -67.38 171.94 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 55.33 111.137 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.1 mttp 63.84 41.9 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.952 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 26.3 t -83.24 -16.29 47.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.54 111.213 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -84.89 -19.25 32.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.51 -0.314 . . . . 65.51 111.349 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.93 178.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.714 0.292 . . . . 72.24 111.166 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.61 23.74 7.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 72.42 111.321 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.4 74.55 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 61.21 110.99 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.5 114.99 22.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.34 110.795 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 36.7 p -89.1 -65.05 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 71.31 110.657 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 39.3 t -70.65 99.47 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.894 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.09 156.08 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 73.13 111.186 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.8 t -55.35 -28.3 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 72.14 110.913 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.51 -52.19 65.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.273 -0.421 . . . . 74.1 110.741 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.5 -47.44 85.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.123 -0.489 . . . . 73.22 110.851 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.71 99.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 64.31 111.035 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.49 -35.76 77.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 75.41 110.921 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.26 -31.27 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 71.12 110.823 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.1 tp -80.35 -51.45 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.927 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.47 98.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 75.15 111.114 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -63.19 -29.3 70.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 70.23 111.132 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.4 m -73.96 -34.86 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.871 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.421 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 20.5 m-85 -79.33 -15.57 57.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 74.11 111.222 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.69 19.34 71.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.665 -0.778 . . . . 63.11 112.564 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.437 HD13 HG21 ' A' ' 139' ' ' ILE . 19.2 pt -112.53 154.6 44.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 73.05 111.296 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.89 150.48 78.37 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.557 2.171 . . . . 74.53 112.305 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -119.27 116.9 27.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 65.42 110.913 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.0 mp -117.06 150.64 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 74.33 111.088 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -113.61 127.72 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 73.34 110.746 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 10.7 p -140.3 175.79 9.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.942 0.401 . . . . 71.32 111.161 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.6 t -150.52 124.57 9.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 71.42 110.646 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.07 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 55.01 111.54 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -68.19 -66.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 74.13 111.161 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 14.9 t -83.51 -19.59 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.476 -0.329 . . . . 74.25 111.517 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 70.1 37.3 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 70.33 110.737 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.38 126.18 31.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 74.4 110.962 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 55.11 24.7 36.62 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.929 -0.653 . . . . 72.34 112.821 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.7 -55.3 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-O 120.872 0.368 . . . . 73.22 110.688 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.02 -31.38 72.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 62.13 110.68 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -45.34 83.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 72.24 110.958 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.27 -47.74 82.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 54.43 111.267 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.427 ' CD2' HD12 ' A' ' 23' ' ' LEU . 70.2 m-85 -72.73 -44.74 61.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 73.4 110.967 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -56.68 -35.49 68.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 72.14 110.979 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 92.4 m -60.07 -36.88 78.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 75.44 110.919 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 34.1 tp -67.59 -30.64 70.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.831 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.13 -39.42 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 74.41 111.044 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -76.36 -28.9 56.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 72.24 110.872 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -70.32 -48.35 56.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.013 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.48 -39.76 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 116.367 -0.379 . . . . 71.44 111.266 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -44.73 89.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.409 . . . . 72.45 110.957 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -55.51 -29.96 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.051 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.192 -0.908 . . . . 74.33 110.889 179.912 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.814 0.34 . . . . 73.54 111.289 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.09 149.76 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.714 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -110.57 122.97 49.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.866 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -107.48 134.46 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.949 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -112.22 92.08 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.555 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mt -88.81 131.98 34.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.13 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.9 t -104.91 107.79 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.008 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -91.81 139.27 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 73.23 111.065 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.71 175.28 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 75.44 111.047 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.29 154.0 23.04 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 63.31 112.48 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.85 16.53 13.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 73.24 111.439 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.65 -15.06 61.29 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.649 -0.786 . . . . 74.11 112.938 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.1 50.62 0.47 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.575 -0.822 . . . . 53.23 112.7 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -117.45 -8.29 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.668 0.247 . . . . 71.15 111.668 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.98 32.95 42.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.66 -0.781 . . . . 72.34 112.573 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -30.87 69.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.772 0.32 . . . . 72.21 110.948 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.54 -36.46 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 73.51 110.904 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.64 -59.57 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 65.24 111.134 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.41 -26.72 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 75.33 110.986 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.8 m -71.66 -58.88 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 74.14 110.83 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.82 -30.44 42.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 74.13 111.117 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -65.07 -44.75 87.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 73.42 110.645 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.78 -2.91 35.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 63.33 111.449 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.0 mm -114.83 -65.83 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.839 0.352 . . . . 74.44 111.399 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.06 20.98 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 71.04 111.844 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 120.792 0.33 . . . . 73.12 111.484 179.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.831 0.348 . . . . 75.4 110.747 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -128.25 106.46 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.889 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -114.14 146.08 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.819 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -102.9 117.53 34.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.951 -0.568 . . . . 74.24 110.624 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.0 m -127.69 177.79 5.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 74.32 111.156 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.34 100.9 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.096 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.6 mm -81.56 99.66 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 73.24 111.166 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 t70 57.32 31.98 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.06 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.63 -28.26 16.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.73 -0.748 . . . . 74.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.75 113.0 15.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 74.34 110.951 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.6 m -78.67 121.79 25.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 64.44 110.85 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.8 m -151.23 150.4 30.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 63.24 111.019 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.62 150.43 32.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 61.1 110.467 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.7 mt -123.59 96.97 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 74.3 111.013 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.92 100.55 13.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.802 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.2 mm -93.09 110.46 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 61.5 111.074 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.26 117.15 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.11 110.577 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -99.15 107.95 20.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.22 110.875 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.4 p -93.09 -173.82 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 64.41 110.797 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 75.42 111.109 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.891 0.377 . . . . 73.23 110.785 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -59.6 -39.24 83.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 74.51 110.846 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -70.37 -31.22 68.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.511 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -63.5 -42.26 98.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 74.52 110.583 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -69.03 -30.77 69.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.009 -0.541 . . . . 72.34 111.083 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.1 mtt -62.49 -58.19 8.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.796 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.415 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 50.0 mtp85 -55.67 -27.06 47.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 73.32 110.957 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.9 p -106.42 19.33 20.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 71.12 111.202 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.94 113.65 3.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.608 -0.806 . . . . 61.12 112.635 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.23 -29.44 68.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.864 0.364 . . . . 72.12 110.819 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.73 -173.3 20.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.938 -0.648 . . . . 74.51 112.239 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -151.58 136.55 17.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 74.42 111.169 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.5 124.69 46.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 75.45 110.807 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 58.3 m -98.49 108.46 21.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.875 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.2 t -100.76 119.37 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 74.13 111.159 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.56 144.44 46.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.714 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.22 127.94 36.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.406 . . . . 74.23 111.178 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.6 pt -59.63 -30.85 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.976 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -79.65 -3.32 46.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 64.23 111.335 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -122.67 100.62 7.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.854 0.359 . . . . 73.41 110.917 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -63.85 -26.72 68.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 73.23 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -66.4 -42.08 88.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 75.21 110.595 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.1 m -60.93 -38.2 84.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 73.54 110.85 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -60.77 -49.38 77.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 71.13 110.852 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.8 -29.73 68.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 74.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 95' ' ' GLN . 8.1 m-20 -70.52 -31.4 68.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 75.35 110.923 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.3 mm -61.5 -29.51 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 73.52 110.702 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -71.27 -52.83 16.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 75.33 110.706 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -71.99 -28.38 63.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 74.44 111.049 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -64.22 -53.68 45.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 73.12 111.002 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -35.69 68.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 74.52 111.155 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -59.86 -33.43 71.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 73.32 110.941 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -33.35 75.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 65.35 110.872 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 mt -68.17 -44.14 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.99 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -58.63 -28.53 65.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 75.24 110.924 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -74.41 -58.23 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.932 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.415 ' CG1' ' CG ' ' A' ' 73' ' ' ARG . 41.6 t -58.54 -58.59 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.86 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -61.0 -24.35 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 73.02 110.879 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.1 t0 63.15 35.09 13.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 62.1 110.7 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.08 138.14 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 75.51 110.914 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -71.38 -29.05 64.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.889 -0.596 . . . . 64.2 110.671 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.02 100.25 11.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.758 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.422 ' CG1' ' HD2' ' A' ' 110' ' ' PRO . 59.7 t -139.21 137.06 18.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.762 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.422 ' HD2' ' CG1' ' A' ' 109' ' ' VAL . 58.5 Cg_endo -72.32 102.82 1.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.758 2.306 . . . . 72.34 112.379 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.17 163.73 34.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 71.33 111.066 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 43.7 t -141.95 146.86 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 73.44 111.231 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.7 tp -107.69 111.85 24.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 75.34 110.742 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 15.9 t -98.68 144.53 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 75.03 111.268 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.1 80.06 0.26 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.76 -0.733 . . . . 74.24 112.414 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -63.12 174.61 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 74.32 110.978 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.0 mttp 61.74 48.85 5.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.933 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.1 t -82.26 -6.27 59.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 71.54 111.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -97.24 -22.4 16.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.644 0.259 . . . . 73.3 111.087 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -48.84 133.98 17.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.49 -0.323 . . . . 74.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.41 26.48 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 74.04 111.313 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.83 36.9 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.428 -0.351 . . . . 74.32 111.109 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -55.86 128.59 35.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 73.33 110.976 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.9 p -98.63 -38.19 9.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.226 -0.443 . . . . 75.25 110.813 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 50.2 t -105.56 94.18 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.098 -0.501 . . . . 74.02 111.077 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.71 158.57 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.303 -0.408 . . . . 72.41 110.882 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.0 p -58.88 -23.71 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 52.04 111.106 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -62.81 -52.92 61.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 73.21 110.959 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.59 -35.36 78.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.976 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.0 70.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 73.31 111.216 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -40.62 94.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 72.32 110.869 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.41 -46.31 83.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 73.52 110.942 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.432 HD13 ' CE2' ' A' ' 137' ' ' TYR . 3.0 tm? -62.57 -51.04 68.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 74.32 111.023 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.47 -38.02 88.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 54.51 111.219 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -65.05 -27.45 68.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.53 111.105 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.91 -28.92 61.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 71.03 110.775 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.432 ' CE2' HD13 ' A' ' 133' ' ' LEU . 21.0 m-85 -85.35 -21.48 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 75.14 111.177 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.46 15.52 63.89 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.632 -0.794 . . . . 61.53 112.627 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 139' ' ' ILE . 22.0 pt -107.17 152.49 41.14 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 120.719 0.295 . . . . 72.45 111.297 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.24 155.5 69.52 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.538 2.159 . . . . 65.34 112.255 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -130.56 117.94 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 75.11 110.862 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.1 mp -122.05 144.63 30.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 72.42 110.909 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -111.21 127.82 55.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 72.55 110.671 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 23.6 p -139.84 179.24 6.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 74.42 111.158 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 p -141.43 119.39 11.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.933 -0.576 . . . . 71.33 110.661 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.23 -22.85 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 71.15 111.483 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -86.2 -45.29 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 72.54 111.178 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.09 -12.54 30.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 73.32 111.448 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 57.39 73.77 0.45 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.912 0.386 . . . . 63.11 110.901 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -125.08 113.47 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 71.23 110.839 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 57.52 20.29 37.56 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 34.43 112.763 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.2 t -54.78 -55.22 16.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.873 0.368 . . . . 72.33 111.061 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -60.12 -25.76 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 72.44 110.797 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -57.72 -52.17 66.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 70.3 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.99 -45.06 87.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 64.43 111.123 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -58.81 -52.01 67.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.971 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.72 -31.42 58.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 75.44 111.119 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.5 m -59.25 -40.25 85.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 60.3 110.826 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -42.75 92.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 74.41 110.929 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.3 t -60.38 -40.61 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 72.32 110.978 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -68.42 -30.33 69.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 74.24 110.91 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.97 -48.91 61.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 61.12 110.933 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 76.7 mt -57.74 -52.66 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.223 -0.444 . . . . 73.45 111.354 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -37.38 36.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 74.31 111.152 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -60.64 -31.55 70.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 73.5 110.823 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.251 -0.88 . . . . 73.45 110.795 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.7 ttm . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.938 0.399 . . . . 71.52 111.13 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.84 149.71 52.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.079 -0.51 . . . . 75.41 110.601 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -94.78 118.51 31.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 71.44 110.777 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -107.27 105.86 16.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 74.42 111.017 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.2 104.75 8.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 71.02 110.731 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.42 127.3 42.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 73.44 111.146 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.406 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 89.6 t -106.27 107.57 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.923 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.0 t -86.55 139.45 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 55.34 111.082 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.49 166.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.5 111.085 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.4 -73.36 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.686 -0.768 . . . . 71.31 112.568 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.59 -172.44 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 74.11 111.089 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.95 28.13 16.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 74.33 112.472 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.2 44.61 0.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.841 -0.695 . . . . 71.2 112.357 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 m -111.01 -25.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 63.5 111.436 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.45 23.27 5.49 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.707 -0.759 . . . . 74.25 112.311 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.82 -46.51 81.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 74.35 111.055 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.5 m -56.82 -51.4 69.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 62.54 110.976 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.32 -40.69 82.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 65.52 111.083 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.34 -42.1 98.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 70.34 110.994 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.9 m -66.08 -46.71 76.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 75.22 111.131 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.59 -34.43 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.315 -0.402 . . . . 74.32 110.9 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -59.65 -39.59 84.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.357 -0.383 . . . . 74.02 110.713 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.64 -5.8 49.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 75.32 111.298 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.1 mm -116.45 -71.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.7 0.286 . . . . 74.41 111.399 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -83.49 -24.91 31.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.02 111.261 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 72.22 111.202 179.829 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.871 0.367 . . . . 72.13 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -143.59 113.9 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 74.35 110.815 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -119.52 147.44 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 75.23 111.072 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -106.76 118.89 37.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.976 -0.556 . . . . 72.31 110.703 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.9 m -134.15 178.51 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 75.14 111.211 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -121.21 100.82 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 73.33 111.21 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.415 HG21 HD12 ' A' ' 46' ' ' ILE . 36.2 mt -115.98 133.51 62.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.895 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t0 67.19 31.47 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 60.32 110.786 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.65 31.12 78.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 74.11 112.649 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -147.54 113.85 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 71.41 110.802 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.8 m -60.24 123.69 17.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 71.1 110.773 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 97.8 m -145.66 144.03 30.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 73.2 110.99 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.46 143.35 36.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.125 -0.489 . . . . 72.1 110.791 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.3 mt -119.66 104.61 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 72.41 110.99 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -90.96 96.55 10.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 74.41 110.814 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.5 mm -86.46 108.71 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 71.21 111.061 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -102.58 131.93 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 72.52 110.756 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.47 104.35 9.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.649 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.1 p -75.4 -175.85 2.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 75.55 110.925 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 73.13 111.176 -179.901 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.0 mmt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.745 0.307 . . . . 71.44 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -58.29 -37.86 75.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 73.31 110.791 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.32 -29.32 63.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 71.35 110.782 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -67.46 -50.81 57.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 74.21 110.735 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -55.81 -40.61 72.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 75.34 111.262 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mtt -59.76 -55.65 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 73.53 110.881 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.41 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 7.7 mtt-85 -61.88 -19.33 62.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 75.13 111.287 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.4 p -104.04 -2.57 25.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.511 -0.313 . . . . 74.4 111.533 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.62 122.34 7.53 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.527 -0.845 . . . . 73.25 112.672 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.1 -29.93 70.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 74.32 110.748 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.34 -167.07 12.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.92 -0.657 . . . . 64.04 112.32 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.406 ' CD1' ' HB ' ' A' ' 7' ' ' VAL . 96.6 m-85 -151.34 139.16 19.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.919 0.39 . . . . 73.33 111.124 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.41 123.24 42.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 73.23 110.666 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.4 m -100.87 114.41 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 74.33 111.027 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 62.4 t -109.09 110.24 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 64.41 111.093 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -123.11 143.2 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.519 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.04 123.68 31.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 70.43 111.078 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.3 pt -57.28 -31.66 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 72.52 111.088 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -75.07 -31.62 61.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.576 . . . . 75.02 111.051 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -101.26 104.69 15.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 71.44 111.049 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.4 m -68.52 -21.72 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 75.52 111.022 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -61.39 -43.77 98.3 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.389 -0.369 . . . . 74.2 110.866 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -59.11 -38.83 80.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.296 -0.411 . . . . 72.33 110.823 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.416 ' CE1' HD23 ' A' ' 133' ' ' LEU . 25.0 t80 -60.16 -28.79 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 75.31 110.861 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -71.88 -34.04 68.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 63.43 110.983 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.3 -32.62 66.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 74.42 110.87 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.3 mm -59.61 -25.57 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 72.42 111.021 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -77.94 -55.37 5.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 75.23 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -28.42 68.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 71.53 111.013 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.32 -44.34 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.356 . . . . 74.23 110.854 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -43.13 82.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 71.3 110.915 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.92 -38.49 79.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.54 110.921 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -38.73 86.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.7 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.7 mt -65.47 -50.84 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 64.5 110.856 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -40.46 58.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 73.01 110.933 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -58.9 5.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.225 -0.443 . . . . 74.13 111.04 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.41 ' CG1' ' CG ' ' A' ' 73' ' ' ARG . 72.6 t -56.73 -59.46 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 72.33 111.085 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.6 OUTLIER -59.61 -23.22 62.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 75.25 110.763 179.76 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.1 t0 63.15 42.84 6.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 74.03 110.829 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.28 137.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.517 . . . . 73.51 110.938 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.31 -32.08 73.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.814 -0.63 . . . . 74.11 110.769 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -76.64 96.94 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 64.11 110.661 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.419 ' CG1' ' HD2' ' A' ' 110' ' ' PRO . 48.4 t -135.88 136.44 23.28 Favored Pre-proline 0 N--CA 1.453 -0.297 0 CA-C-N 116.218 -0.446 . . . . 72.11 110.946 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.419 ' HD2' ' CG1' ' A' ' 109' ' ' VAL . 57.6 Cg_endo -73.05 101.06 1.29 Allowed 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.741 2.294 . . . . 75.3 112.164 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 18.3 ptp -141.73 165.89 26.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 72.41 111.103 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 57.6 t -142.19 146.44 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 73.02 110.936 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.1 tp -109.44 107.0 16.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 75.51 110.901 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.5 t -94.43 150.52 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 74.2 111.17 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -121.32 84.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.819 -0.705 . . . . 53.12 112.38 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -66.83 172.85 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 74.03 111.035 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.54 67.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 74.21 111.032 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.9 t -110.34 -19.55 12.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 64.53 111.114 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.93 -54.9 23.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.429 -0.35 . . . . 72.43 111.077 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -53.79 162.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 75.32 111.147 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.81 39.9 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 74.42 111.106 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -131.44 60.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 74.12 110.977 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.36 146.12 24.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 75.51 111.134 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.4 p -108.43 -39.66 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.54 110.617 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 38.7 t -95.47 101.22 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 61.43 110.967 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -55.78 161.69 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 71.14 111.128 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.7 t -61.4 -42.99 99.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.11 111.092 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -54.14 -46.11 72.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.92 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -60.19 -41.7 93.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.889 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.7 -30.46 64.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 63.32 110.959 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -73.14 -35.07 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.896 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.88 -31.86 72.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 60.21 110.913 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.416 HD23 ' CE1' ' A' ' 90' ' ' PHE . 14.6 tp -78.68 -51.41 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 72.51 110.979 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.18 -51.43 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 75.11 111.113 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -58.29 -25.34 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 72.24 111.093 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.51 -28.98 59.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 72.23 110.794 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -94.52 -5.06 46.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 74.24 111.42 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.84 23.83 77.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 75.15 112.486 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 17.6 pt -111.94 154.16 44.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 75.33 111.354 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.51 167.36 22.78 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.608 2.205 . . . . 73.23 112.369 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -143.55 106.81 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 64.44 110.784 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.2 mp -112.71 153.69 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 75.41 111.088 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -120.2 139.09 53.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 74.43 110.951 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 16.3 p -147.81 -177.9 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 73.4 110.989 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.8 p -146.03 114.59 6.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 64.12 110.709 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.32 -19.19 65.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 64.32 111.451 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -83.0 -66.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.501 -0.318 . . . . 74.33 111.092 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.8 p -75.43 -20.61 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 72.53 111.227 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 65.26 66.3 0.55 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.936 0.398 . . . . 75.5 110.891 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -116.87 120.38 38.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 73.53 110.8 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 60.13 23.69 59.94 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.806 -0.711 . . . . 74.24 112.606 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.39 -58.82 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 120.734 0.302 . . . . 74.21 111.055 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -62.04 -26.01 68.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 73.01 110.906 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -42.62 82.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 70.44 110.949 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -68.27 -42.67 79.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.44 111.008 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -63.66 -51.4 65.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 73.35 110.881 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -53.63 -31.49 47.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 61.3 110.97 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 51.1 m -59.81 -41.56 91.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.853 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.65 -48.07 82.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 74.1 110.961 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 20.9 t -54.53 -44.7 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 74.34 111.129 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -35.12 76.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 72.44 110.712 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -67.2 -45.89 75.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.55 110.761 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 21.1 mt -61.65 -48.01 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.12 -0.491 . . . . 75.43 111.146 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -51.04 -30.7 16.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 75.43 111.104 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -68.4 -41.55 80.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.808 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.232 -0.89 . . . . 72.44 110.718 179.854 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.897 0.38 . . . . 73.04 111.14 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.66 149.9 20.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 74.35 110.751 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -105.13 108.66 20.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 72.22 110.868 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -97.41 131.66 43.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 62.44 110.904 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.9 99.1 8.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.855 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.1 mt -99.01 136.73 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 73.52 110.944 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' A' ' 78' ' ' PHE . 3.2 m -110.26 106.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 75.23 111.151 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.92 145.13 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 73.21 111.29 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.7 164.25 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 73.54 110.971 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.57 165.59 35.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.65 -0.786 . . . . 63.12 112.594 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.38 23.46 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.692 0.282 . . . . 74.1 111.342 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.65 -85.94 1.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 73.42 112.641 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.12 58.18 5.05 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 70.42 112.733 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.3 m -133.44 20.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 55.42 111.316 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.12 30.53 73.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 73.25 112.548 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -58.52 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 75.22 110.876 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 p -69.51 -28.21 65.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.31 110.92 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.27 -50.48 64.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.383 . . . . 71.43 111.241 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.04 -40.24 95.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 75.41 110.82 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.0 m -59.68 -57.28 13.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 74.22 110.927 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.07 -31.65 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 75.05 110.803 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -65.08 -45.79 83.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 74.11 110.888 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -76.71 -13.75 60.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 74.24 111.377 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.2 mm -99.73 -75.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.67 0.271 . . . . 73.43 111.321 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -85.13 -27.59 26.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 64.3 111.305 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 71.12 110.809 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.79 0.329 . . . . 71.53 110.846 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.49 123.8 10.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 73.03 110.885 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -112.83 148.89 33.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.52 110.805 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -99.86 119.55 38.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 72.2 110.929 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -131.88 175.61 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 72.23 111.109 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -116.91 105.7 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 73.12 111.044 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.1 mt -120.24 140.4 44.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 71.51 110.963 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t0 65.41 15.86 10.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 43.44 111.173 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.05 -18.04 52.94 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.728 -0.749 . . . . 75.01 112.884 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -106.54 145.06 32.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 72.54 111.179 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.7 m -76.02 136.38 39.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 73.01 110.678 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 61.6 m -153.75 145.11 23.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 64.32 110.943 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.18 143.29 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 75.13 110.751 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.4 mt -114.87 86.22 2.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 73.32 110.942 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 96.18 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.825 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 mm -92.85 110.51 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.13 111.132 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.41 124.7 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.622 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -103.73 103.94 13.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 73.13 110.563 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.9 p -75.23 -178.69 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 70.13 110.877 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 75.51 111.184 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.833 0.349 . . . . 73.54 110.824 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -33.76 72.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.856 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -76.68 -29.73 56.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.885 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -67.46 -33.27 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 74.45 110.924 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -72.32 -35.52 68.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 72.21 111.212 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.6 mtt -57.23 -50.77 71.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.844 0.354 . . . . 74.53 110.702 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.429 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 58.5 mtm-85 -63.53 -21.23 66.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.075 -0.511 . . . . 72.35 110.971 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.0 p -106.37 14.26 27.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 74.4 111.337 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -115.39 118.62 4.34 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.496 -0.859 . . . . 71.54 112.701 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.55 -25.21 63.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.729 0.299 . . . . 75.54 110.905 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.13 153.69 24.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 74.44 112.37 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.437 ' CE1' ' HD2' ' A' ' 104' ' ' LYS . 2.7 m-85 -123.98 125.43 44.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 74.22 111.076 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.19 130.29 55.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 62.53 110.999 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 57.7 m -107.17 117.0 32.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 63.52 110.709 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -103.28 113.72 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 74.12 111.317 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.22 147.76 48.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 73.52 110.591 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.26 123.85 42.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 64.15 111.174 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 pt -60.2 -26.83 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.072 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -74.63 -30.65 61.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 74.03 110.945 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -98.87 104.85 16.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.382 -0.372 . . . . 75.21 111.068 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.6 m -65.23 -23.37 67.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.41 110.924 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -69.62 -48.45 59.95 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.336 -0.393 . . . . 74.42 110.594 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -59.61 -30.79 68.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 70.52 110.782 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -59.6 -41.7 90.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 73.14 110.75 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.69 -29.18 61.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 72.23 110.995 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.428 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 0.6 OUTLIER -61.9 -31.33 71.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 73.22 110.821 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.1 mm -61.73 -30.81 49.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 74.44 110.737 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -69.58 -55.4 10.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 74.21 110.671 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -66.47 -30.03 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 70.13 111.007 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.7 m-85 -62.48 -40.32 96.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 72.45 110.924 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.424 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 11.7 ttt85 -66.11 -30.72 71.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.76 -36.35 83.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.944 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -63.43 -39.28 94.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 65.11 110.857 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.1 mt -63.94 -48.65 85.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.014 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -54.58 -36.02 63.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.156 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -62.94 -59.02 5.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 75.12 111.138 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.429 ' CG1' ' CG ' ' A' ' 73' ' ' ARG . 95.9 t -64.12 -52.61 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 73.4 110.824 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.437 ' HD2' ' CE1' ' A' ' 78' ' ' PHE . 4.4 mtpm? -62.94 -26.77 68.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 73.31 110.919 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.3 t0 62.61 46.18 5.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 74.15 110.868 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.47 161.47 6.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.811 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.17 -56.37 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 65.33 110.871 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -72.55 85.04 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.912 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.51 152.93 58.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 72.12 111.083 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.58 113.85 3.09 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.554 2.17 . . . . 72.13 112.459 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.2 ptp -165.22 164.59 20.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 74.45 110.979 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.4 t -144.53 152.76 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.14 111.284 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.6 tp -114.83 112.16 22.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 64.31 110.831 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.68 146.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 75.12 111.145 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.45 87.72 0.47 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.794 -0.717 . . . . 72.0 112.57 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -67.35 174.47 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.756 0.312 . . . . 71.13 110.828 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm 62.94 45.1 5.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.889 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 12.3 t -81.94 -22.49 36.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 64.34 111.241 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -90.94 -19.01 23.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.444 -0.344 . . . . 74.31 111.466 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.7 mt -48.03 142.49 5.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.772 0.32 . . . . 74.51 111.09 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -92.7 19.29 7.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 65.42 111.563 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.31 69.83 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.818 0.342 . . . . 64.43 110.968 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -89.0 132.75 34.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 74.14 110.926 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.9 p -103.95 -46.76 4.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 65.42 110.733 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.2 t -94.53 103.95 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.904 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -59.43 161.5 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.954 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.3 p -61.87 -40.65 96.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 75.13 111.043 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -55.8 -43.71 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.982 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -66.22 -35.93 81.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -35.92 67.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.04 111.152 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -35.5 76.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 72.32 110.866 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.46 -44.44 89.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.843 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.26 -51.76 41.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.258 -0.428 . . . . 75.0 111.047 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.38 -32.39 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 75.24 110.993 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -65.12 -26.19 68.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 74.02 111.1 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.1 m -74.62 -28.82 61.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.954 0.407 . . . . 70.51 110.726 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.424 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 23.1 m-85 -83.2 -21.56 33.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.969 -0.56 . . . . 71.2 111.097 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.44 16.29 64.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.715 -0.755 . . . . 64.23 112.631 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 29.4 pt -107.91 153.79 41.44 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.723 0.297 . . . . 75.44 111.361 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.96 150.21 66.67 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.581 2.187 . . . . 73.24 112.281 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -124.9 118.53 26.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 72.4 110.804 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.05 145.06 23.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 73.02 110.952 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -110.89 131.23 55.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 62.44 110.819 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 19.1 p -146.21 177.81 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.407 . . . . 75.05 111.275 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.93 127.31 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 72.23 110.818 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.82 -18.44 62.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 71.12 111.493 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -90.63 -51.61 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.555 -0.293 . . . . 72.44 111.295 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 149' ' ' ARG . 25.3 p -93.63 13.43 22.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.556 -0.293 . . . . 74.24 111.637 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 148' ' ' THR . 0.6 OUTLIER 28.25 63.56 0.11 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.129 0.418 . . . . 74.13 112.129 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -110.47 108.1 17.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 72.44 111.16 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 75.9 12.91 83.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 71.21 112.989 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 59.0 t -57.18 -54.16 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-O 120.794 0.331 . . . . 74.15 111.062 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 4.4 mt-10 -59.99 -27.4 66.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.34 110.659 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -55.94 26.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 64.42 110.707 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.8 -47.53 64.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 74.25 111.345 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.21 -51.13 70.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 75.51 110.912 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.5 m-85 -58.32 -34.27 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 71.42 111.058 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 4.7 m -57.13 -44.53 83.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.35 -0.386 . . . . 70.21 110.855 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 55.7 tp -59.85 -44.68 93.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 74.23 110.738 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 24.1 t -53.85 -37.77 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.071 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -76.39 -34.44 58.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.731 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.38 -43.58 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.32 110.873 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 67.7 mt -59.54 -51.15 76.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.254 -0.43 . . . . 72.54 111.24 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -57.63 -33.47 68.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 71.42 110.95 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -30.98 69.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 75.13 110.886 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 61.9 t60 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.228 -0.892 . . . . 65.44 110.818 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 121.055 0.455 . . . . 54.24 111.371 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.06 146.72 37.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.829 -0.623 . . . . 74.12 110.813 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.47 132.45 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 63.13 110.802 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -122.19 112.45 18.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.937 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 100.72 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 73.54 110.724 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.23 126.63 39.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.11 111.091 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.4 t -112.48 103.46 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.024 -0.535 . . . . 72.33 110.951 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.7 t -77.31 140.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 72.32 111.057 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.6 m -143.89 -177.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 73.42 111.159 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.9 -174.89 15.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.722 . . . . 71.22 112.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.14 160.78 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 74.34 111.08 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.97 -83.67 0.02 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.838 -0.696 . . . . 74.13 112.587 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.41 -102.99 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.648 -0.787 . . . . 71.2 112.096 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.1 m 42.22 30.83 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.803 0.335 . . . . 72.12 111.865 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.76 38.78 60.07 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.839 -0.696 . . . . 73.35 112.649 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -74.59 -58.4 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 74.34 110.998 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -37.07 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.861 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.91 -34.42 73.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 71.24 111.043 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.06 -38.66 86.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 65.14 110.841 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 83.8 m -68.21 -35.69 78.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.897 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.2 mm -62.08 -43.83 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 73.13 111.179 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -59.34 -45.84 90.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 75.24 111.029 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.42 ' HG ' ' CD2' ' A' ' 156' ' ' PHE . 3.1 tm? -71.62 -45.85 60.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 75.22 111.026 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.6 mm -66.91 -76.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 72.11 111.249 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.1 mt-30 -89.6 -97.2 0.1 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.561 -0.291 . . . . 74.41 111.055 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 3.4 m-20 . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.827 0.346 . . . . 75.01 110.846 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.881 0.372 . . . . 71.51 110.754 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.55 155.38 41.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.828 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -155.07 147.34 23.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 74.11 110.944 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -100.3 122.63 43.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.809 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.4 m -134.97 -178.06 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.21 111.197 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -118.05 100.84 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 75.23 111.117 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.9 mm -83.55 105.77 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.983 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.2 t0 59.44 37.77 22.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 70.11 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.55 -6.35 82.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 31.25 112.841 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.78 114.28 27.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 74.54 110.983 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.5 m -70.66 121.47 17.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 74.4 110.983 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.5 m -148.7 149.85 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.891 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.83 141.96 37.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 64.04 110.945 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.6 mt -121.98 93.36 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.805 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.12 95.7 10.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 70.13 110.892 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 13.0 mm -85.44 111.02 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 74.24 111.024 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -101.89 119.52 38.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.242 -0.436 . . . . 71.41 110.714 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -117.54 98.31 6.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 54.12 110.754 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.7 p -78.98 -173.74 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.03 110.898 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 73.03 111.217 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.413 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 15.2 ptp . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.821 0.343 . . . . 75.34 110.97 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -25.41 44.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.41 111.121 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.18 -24.95 34.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 73.22 111.238 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -80.77 -39.81 26.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 74.11 110.999 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.413 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 14.5 m-85 -74.17 -53.17 10.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 75.34 110.981 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.1 mtt -54.94 -46.76 75.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 65.5 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 58.9 mtp180 -62.91 -24.44 67.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 73.42 111.067 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 73.8 p -100.55 -9.9 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 74.44 111.418 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.96 132.1 10.9 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.624 -0.798 . . . . 73.2 112.857 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.04 -21.7 58.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 64.41 110.859 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.58 -171.7 23.07 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.889 -0.672 . . . . 72.54 112.418 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.421 ' CD2' HG23 ' A' ' 100' ' ' ILE . 93.6 m-85 -150.26 135.15 17.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 72.5 110.904 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.75 115.79 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 74.52 111.039 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 75.3 m -93.68 119.07 32.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.761 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.1 t -113.06 130.02 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.462 . . . . 74.24 111.145 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 7.8 p90 -139.18 151.78 46.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 71.23 111.014 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.96 124.06 40.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.33 111.103 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.3 pt -59.9 -32.18 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 73.3 111.092 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.11 -19.15 65.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.51 . . . . 74.32 111.15 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -119.61 103.31 9.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.365 -0.38 . . . . 65.02 110.866 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -64.15 -22.87 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 70.35 111.096 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -64.78 -43.13 94.25 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.859 0.361 . . . . 72.41 110.655 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.2 m -60.74 -39.3 88.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.74 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 130' ' ' ALA . 26.2 t80 -59.18 -25.25 63.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 75.5 110.996 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.37 -34.71 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 63.34 111.04 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.72 -34.89 78.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.992 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.3 mm -59.6 -27.71 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.406 . . . . 75.33 111.007 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -74.21 -55.33 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.806 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -67.39 -29.05 68.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 70.33 111.063 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.84 -43.42 94.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 73.14 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -58.15 -40.78 82.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 75.53 110.863 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.92 -28.22 49.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.116 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -76.15 -42.13 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 74.53 110.892 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.421 HG23 ' CD2' ' A' ' 78' ' ' PHE . 49.3 mt -64.78 -46.31 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 75.12 110.941 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -57.48 -28.89 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 55.34 110.924 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -70.75 -58.59 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 72.44 110.806 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.4 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 39.0 t -57.08 -56.65 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 74.23 111.052 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -63.1 -20.58 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 74.02 111.029 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 61.58 46.53 7.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 75.05 110.886 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.18 154.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.5 111.013 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -81.06 -41.01 23.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.673 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -70.08 94.95 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 72.31 110.711 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.61 136.14 28.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 74.11 110.769 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -73.01 100.91 1.26 Allowed 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.809 2.339 . . . . 73.42 112.344 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 10.6 ptp -144.91 170.36 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 73.44 110.837 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 42.9 t -143.87 146.76 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 73.51 111.127 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.4 tp -113.79 131.41 56.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 75.43 110.719 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.404 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 5.2 m -123.99 158.9 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 73.44 111.497 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.23 75.82 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.897 -0.668 . . . . 75.32 112.257 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -48.97 159.0 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 73.34 111.24 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 64.36 61.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 75.33 110.882 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 15.1 t -104.05 20.76 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.513 . . . . 64.41 111.026 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -116.78 -38.72 3.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 75.55 110.921 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 40.8 mt -54.15 151.57 6.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 71.3 110.956 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.08 36.96 1.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 64.4 111.249 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.63 74.52 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.06 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -99.53 135.08 41.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 75.44 110.905 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.8 p -105.37 -27.89 11.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 63.45 110.791 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.7 t -111.13 96.33 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.075 -0.511 . . . . 71.32 110.759 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -56.07 164.4 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 72.35 111.044 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 m -60.98 -39.41 89.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 71.51 110.959 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -58.58 -50.04 75.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 70.22 110.926 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.05 -41.77 88.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 73.11 111.0 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . . . -72.31 -42.8 65.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 73.13 111.059 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -31.82 73.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.826 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.19 -35.94 76.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 72.23 110.686 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 52.9 tp -78.68 -50.72 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.12 110.745 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.2 -35.74 72.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.936 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -69.24 -26.87 65.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 75.03 110.83 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -37.34 62.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 74.34 110.522 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.48 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.1 m-85 -77.79 -15.08 59.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.914 -0.585 . . . . 73.02 111.104 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.76 20.35 68.54 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.685 -0.769 . . . . 74.52 112.427 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.48 HG12 ' HB2' ' A' ' 137' ' ' TYR . 7.8 pt -110.17 156.81 39.51 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.828 0.346 . . . . 75.43 111.645 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.85 152.01 51.79 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.614 2.209 . . . . 74.41 112.318 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -122.44 117.29 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.745 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.2 mp -118.52 151.04 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.33 111.023 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -112.01 117.88 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.397 . . . . 74.22 111.101 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 75.2 p -128.34 163.85 23.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.31 111.104 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 81.9 p -136.1 117.81 15.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 65.01 110.846 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.03 -13.94 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 71.13 111.586 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -96.97 -66.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 75.01 111.204 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -70.51 -21.66 62.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 64.22 111.405 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 63.48 73.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.905 0.383 . . . . 75.21 110.755 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -125.86 115.24 19.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 73.53 110.837 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.12 14.82 59.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.677 -0.773 . . . . 70.52 112.843 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 36.0 t -50.36 -55.2 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 74.23 111.203 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.406 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 2.9 mt-10 -63.53 -27.44 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.804 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -51.46 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.889 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.78 -48.74 80.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 70.15 111.125 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.42 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 7.8 m-85 -57.55 -51.03 71.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.864 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.8 m-85 -55.97 -36.06 67.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.897 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 7.8 m -58.15 -38.29 76.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.5 110.844 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -37.49 81.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 74.43 110.828 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 7.6 t -64.6 -40.66 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 72.32 111.064 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -37.68 75.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 74.15 110.969 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.95 -51.56 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.964 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.43 -44.89 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.371 -0.377 . . . . 70.24 111.338 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -53.78 -40.85 66.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 75.31 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -29.82 64.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 71.4 110.955 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.123 -0.942 . . . . 72.52 110.998 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.847 0.356 . . . . 75.14 111.145 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.03 145.48 45.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.853 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -98.65 110.41 23.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.907 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -98.94 114.44 27.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.878 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 99.65 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 75.43 110.765 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.1 mt -93.02 128.08 38.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 75.3 110.993 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.409 ' HB ' ' CD2' ' A' ' 78' ' ' PHE . 70.4 t -97.38 102.16 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.02 111.121 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 t -84.55 142.11 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 74.15 111.078 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.8 m -145.68 163.98 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 74.53 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.401 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 151.47 163.86 11.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.763 . . . . 73.53 112.522 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.26 161.35 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 73.34 111.16 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.28 -18.61 60.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 75.34 112.807 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.92 41.79 2.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 75.54 112.603 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -111.11 -28.34 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.764 0.316 . . . . 71.32 111.302 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.0 26.29 22.32 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.693 -0.765 . . . . 73.22 112.427 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -58.6 -47.87 82.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 75.31 111.003 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 p -66.94 -32.14 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 73.32 110.89 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.31 86.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.108 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.6 -32.55 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 74.45 110.979 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m -61.2 -56.35 21.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 75.43 110.978 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.17 -31.96 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.283 -0.417 . . . . 74.44 110.755 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -60.23 -46.92 88.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 71.5 110.655 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -76.93 -19.67 57.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 71.04 111.191 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mm -90.49 -77.32 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.481 -0.327 . . . . 74.33 111.443 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -87.27 -28.6 22.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.508 -0.314 . . . . 63.52 111.304 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 74.43 111.202 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.753 0.311 . . . . 61.3 110.67 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.5 126.9 52.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 73.4 110.82 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -116.02 149.75 38.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 73.55 110.996 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -89.89 120.68 31.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.727 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.3 175.79 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 72.05 111.196 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -120.86 100.83 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 75.21 111.094 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.0 mm -81.91 102.41 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 74.22 111.106 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.3 t0 59.44 35.93 23.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 70.32 110.851 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.89 -4.1 81.44 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.692 -0.766 . . . . 73.11 112.838 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -103.34 107.37 18.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.776 0.322 . . . . 74.45 110.909 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.0 m -60.77 120.38 10.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 75.04 110.857 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 91.5 m -149.31 147.93 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 75.2 111.021 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -83.46 151.7 25.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 71.44 110.698 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.6 mt -122.22 79.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 71.54 111.0 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.7 94.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 63.51 110.729 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.6 mm -80.58 108.66 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.267 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -89.78 100.99 13.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 72.11 110.738 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.17 105.76 15.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 74.43 111.009 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.9 p -81.03 -173.79 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 64.34 110.809 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 74.24 111.072 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.2 null . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.874 0.369 . . . . 74.54 110.823 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 -62.64 -30.25 71.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.869 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -31.2 44.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.983 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -65.4 -33.16 75.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 54.12 110.772 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -69.08 -44.56 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 74.14 110.782 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.7 mtt -57.73 -50.31 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 72.24 110.653 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.4 mtp85 -63.96 -21.58 66.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 73.4 111.052 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.9 p -104.59 2.55 30.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.446 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.22 139.5 14.83 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.562 -0.828 . . . . 74.31 112.797 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.03 -18.66 31.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.708 0.289 . . . . 73.13 111.083 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.17 168.14 31.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 72.12 112.374 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CD1' HG21 ' A' ' 100' ' ' ILE . 57.9 m-85 -133.69 139.07 46.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.371 . . . . 75.42 110.949 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.55 129.36 51.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 73.55 110.828 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.6 m -106.77 107.4 18.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 74.55 110.906 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.3 t -99.15 107.32 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 71.31 111.083 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.13 149.83 38.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.622 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.47 123.66 39.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 73.21 111.059 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pt -65.23 -23.87 34.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 72.01 111.179 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.92 -13.55 60.26 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.257 -0.429 . . . . 73.13 111.252 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -124.82 122.11 36.48 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.831 0.348 . . . . 73.41 110.93 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -70.74 -30.09 66.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.905 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -59.52 -45.1 92.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 73.44 110.959 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.9 m -57.53 -38.85 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.911 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 16.4 t80 -63.04 -29.5 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 74.03 110.817 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.34 -26.95 46.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 74.42 111.091 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.03 -34.42 71.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 73.41 110.965 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 24.8 mm -58.74 -28.08 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 74.41 110.918 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -73.37 -55.33 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 74.44 110.758 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -68.55 -29.07 67.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.43 111.127 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.401 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.6 m-85 -63.88 -47.81 79.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 71.12 110.975 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.403 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 1.8 ttp180 -62.22 -30.42 71.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 73.43 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.85 -31.38 72.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.395 . . . . 53.52 110.936 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -68.76 -34.77 76.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 74.5 111.071 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.415 HG21 ' CD1' ' A' ' 78' ' ' PHE . 40.9 mt -71.56 -41.57 72.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.2 111.117 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -32.94 63.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 75.32 110.966 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -71.58 -56.83 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 73.42 110.746 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.34 -59.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 72.52 111.088 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -61.86 -26.5 68.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.896 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.7 t0 62.82 44.99 5.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.97 0.414 . . . . 75.14 110.707 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.46 140.78 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 71.53 110.804 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -74.12 -41.97 60.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 74.33 111.106 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -80.55 88.43 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 74.52 111.003 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 m -126.68 152.91 75.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 72.13 111.18 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.98 108.24 2.27 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.562 2.175 . . . . 72.42 112.379 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.2 ptp -159.1 166.35 31.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 72.35 110.944 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.2 t -144.22 150.96 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.0 111.282 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.3 tp -115.48 114.41 24.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 74.54 110.65 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.91 146.64 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 74.33 111.269 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.5 82.89 0.31 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.917 -0.659 . . . . 54.12 112.294 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -57.51 171.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 73.41 111.095 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm 62.63 58.59 1.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 75.25 111.122 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.1 t -96.46 -21.78 17.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 73.45 110.943 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.02 -23.93 28.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.262 -0.426 . . . . 74.41 111.185 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.4 mt -50.06 163.76 0.14 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.444 -0.344 . . . . 75.45 111.113 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.78 24.51 11.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.04 111.362 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.64 72.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 73.3 111.221 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -93.53 134.07 36.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 74.44 110.852 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 15.6 p -97.76 -50.61 4.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 73.52 110.684 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.0 t -92.62 102.85 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.578 . . . . 74.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.58 161.39 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 73.23 111.011 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.7 p -59.14 -37.43 77.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.513 . . . . 70.22 111.09 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -57.2 -48.27 79.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.939 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -59.39 -42.84 92.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.039 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.41 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -67.46 -37.15 82.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 70.25 111.215 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -33.62 76.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 73.43 111.015 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.55 -45.85 88.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 75.12 111.007 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.425 HD23 ' CE2' ' A' ' 137' ' ' TYR . 1.1 tm? -68.63 -51.78 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.24 111.081 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.61 -44.07 89.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 73.12 111.145 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -58.78 -25.94 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 72.02 111.089 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.9 t -75.19 -30.28 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 71.31 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.425 ' CE2' HD23 ' A' ' 133' ' ' LEU . 21.7 m-85 -83.32 -22.25 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 74.22 111.054 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.1 15.33 62.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.692 -0.765 . . . . 73.12 112.622 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 21.1 pt -107.76 152.84 41.71 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.764 0.316 . . . . 74.52 111.288 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.22 152.88 75.65 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.556 2.171 . . . . 73.44 112.324 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -127.09 118.61 24.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 73.33 110.885 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.9 mp -118.5 150.02 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 75.14 110.991 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -113.71 130.64 56.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 71.15 110.789 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 34.7 p -142.3 175.06 10.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.91 0.386 . . . . 74.34 111.313 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.81 119.73 13.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 74.44 110.817 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.82 -18.92 65.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 70.45 111.488 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -83.73 -57.7 3.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.51 -0.314 . . . . 74.51 111.313 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 56.8 p -92.77 6.98 45.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 75.22 111.413 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 42.67 45.93 4.2 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.865 0.364 . . . . 75.4 111.396 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -83.13 122.47 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.4 111.135 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 52.44 23.22 12.74 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.886 -0.673 . . . . 62.04 113.045 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 3.8 t -59.59 -50.29 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-O 120.894 0.378 . . . . 55.43 110.831 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.401 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 4.1 mp0 -61.29 -31.91 71.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 73.05 110.851 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -56.22 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.995 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.47 74.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 73.34 111.23 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.8 -52.58 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 70.54 110.862 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 153' ' ' GLU . 15.6 m-85 -53.33 -32.51 49.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 74.11 111.109 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 7.4 m -58.64 -32.01 68.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 71.55 110.887 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.35 -34.16 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 75.35 110.9 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 5.3 t -67.03 -50.36 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.31 111.182 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.84 -38.17 78.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 73.31 110.927 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.01 -53.03 62.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 75.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 75.0 mt -60.01 -37.27 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.189 -0.46 . . . . 71.24 111.387 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -44.76 70.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 74.22 111.078 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -61.95 -38.75 89.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.885 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.227 -0.892 . . . . 75.33 110.915 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.771 0.319 . . . . 73.14 111.169 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.52 149.86 49.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.729 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -107.63 123.66 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 64.55 110.878 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -111.12 106.36 15.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 75.03 111.044 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -89.36 93.04 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 71.15 110.846 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.8 mt -84.39 122.26 28.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 73.23 111.112 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.401 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 99.5 t -98.12 102.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 53.33 110.88 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -79.73 139.28 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 73.42 111.043 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -137.58 152.13 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 72.41 111.033 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 158.57 161.83 11.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 74.43 112.529 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.18 159.71 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 71.45 111.04 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.52 -20.41 55.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.695 -0.764 . . . . 41.55 112.755 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.79 46.63 1.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.673 -0.775 . . . . 74.23 112.783 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.9 m -118.46 -6.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.575 0.226 . . . . 73.04 111.608 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.06 40.67 97.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.627 -0.797 . . . . 40.2 112.41 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -71.04 -34.43 71.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.765 0.317 . . . . 74.21 110.861 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -32.33 64.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 62.11 111.007 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.87 -58.11 8.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 63.15 111.207 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -56.31 -32.45 64.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.481 . . . . 74.45 111.073 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m -70.35 -51.89 26.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 73.03 110.774 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.2 mm -58.01 -39.65 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 75.11 111.075 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -59.98 -41.47 92.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.389 . . . . 74.45 110.972 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -76.65 -11.07 59.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 73.44 111.28 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -103.09 -75.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.76 0.314 . . . . 73.05 111.319 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -90.83 -19.12 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.373 . . . . 63.14 111.644 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.858 0.361 . . . . 74.0 111.026 179.828 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.747 0.308 . . . . 75.13 110.669 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.9 ptt85 -123.85 133.27 53.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 73.14 111.008 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -129.6 147.38 51.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 73.5 110.849 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -93.7 120.41 33.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.881 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.6 178.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 74.15 111.187 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.5 t -121.93 100.86 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 73.24 111.055 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.417 ' CD1' HG21 ' A' ' 160' ' ' VAL . 40.5 mt -123.47 137.75 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.07 29.96 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 64.04 110.848 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.33 28.19 66.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 75.44 112.487 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -143.66 114.09 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 63.44 110.861 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 79.9 m -56.89 129.61 42.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 70.54 110.843 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.3 m -151.6 146.79 26.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 61.43 111.03 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.26 142.33 32.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 75.22 110.506 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.2 mt -110.19 77.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.385 . . . . 72.03 111.172 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.09 102.04 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.2 110.657 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.6 mm -91.35 108.47 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.43 111.259 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.495 HD13 ' CG ' ' A' ' 71' ' ' TYR . 3.4 tm? -96.07 101.36 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 75.11 110.581 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.12 107.03 17.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 75.32 110.905 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 p -76.88 -173.81 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 74.5 110.795 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.32 111.099 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.8 ptp . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.778 0.323 . . . . 73.41 110.83 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -25.82 65.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 74.14 111.11 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -82.24 -35.44 28.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 72.33 111.102 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -27.26 67.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.417 -0.356 . . . . 72.44 111.001 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.495 ' CG ' HD13 ' A' ' 56' ' ' LEU . 18.0 m-85 -69.95 -44.76 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 74.02 110.875 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.1 mtt -60.7 -54.9 39.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.087 -0.506 . . . . 72.33 110.671 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -56.03 -22.39 27.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 75.21 111.279 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.6 p -101.7 -4.42 26.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.366 . . . . 72.41 111.462 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -99.1 127.3 9.21 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.591 -0.814 . . . . 75.02 112.749 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.63 -26.47 65.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 70.22 110.856 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.8 -165.16 11.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.856 -0.688 . . . . 64.21 112.444 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CD2' HG23 ' A' ' 100' ' ' ILE . 91.1 m-85 -151.6 141.32 21.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 74.01 111.017 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.95 118.77 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.03 110.766 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 64.6 m -92.68 110.86 22.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 73.1 111.054 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.6 t -100.31 106.65 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 73.01 110.929 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -121.95 141.18 51.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 75.32 110.883 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.19 123.75 31.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.981 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pt -66.03 -16.74 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 72.21 111.491 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.86 -34.47 26.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.812 0.339 . . . . 74.23 110.874 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -105.83 108.22 19.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 75.1 110.897 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.18 -26.98 63.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.94 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -55.92 22.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.615 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -39.52 28.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.84 -0.618 . . . . 75.31 110.879 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 17.0 t80 -61.62 -29.29 69.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 70.03 110.552 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.79 -28.7 55.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 73.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.46 -31.49 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 63.52 110.869 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.2 mm -60.44 -27.72 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 74.53 110.922 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -73.46 -55.34 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 71.01 110.772 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -65.91 -28.67 69.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 70.15 111.252 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.422 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.8 m-85 -58.65 -37.96 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 72.25 111.119 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.437 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -65.9 -35.61 81.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 74.34 110.775 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.89 -28.72 67.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 73.23 110.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -41.52 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 74.41 110.919 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.417 HG23 ' CD2' ' A' ' 78' ' ' PHE . 15.7 mt -66.11 -49.3 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 75.44 111.049 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -55.39 -32.38 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 63.4 111.072 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -58.86 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.816 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.0 t -59.35 -57.94 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.416 . . . . 75.43 110.988 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -61.61 -27.02 68.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 73.44 110.884 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.7 t70 63.02 46.94 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 72.23 110.739 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.6 148.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 72.23 110.966 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -77.21 -32.92 56.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 63.13 110.82 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.01 94.8 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 64.34 110.861 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.93 136.21 27.92 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-N 116.106 -0.497 . . . . 74.11 110.708 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -74.42 101.06 1.38 Allowed 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.794 2.329 . . . . 64.12 112.253 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.97 168.73 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.878 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.3 t -143.12 149.32 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 73.34 111.2 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 tp -107.48 117.47 34.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 75.34 110.666 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 4.6 t -97.21 161.09 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 74.14 111.295 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -122.18 75.87 0.35 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.837 -0.696 . . . . 73.21 112.338 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -56.03 158.39 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 75.12 111.121 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.3 mttt 57.34 69.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 74.22 110.979 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.6 t -103.18 -13.13 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 71.45 111.167 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -86.57 -29.27 22.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.764 0.316 . . . . 74.25 111.021 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.9 mt -55.03 155.06 4.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 73.54 110.945 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -110.26 35.18 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 64.2 111.342 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.01 71.39 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 51.24 111.28 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -95.72 137.54 34.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 71.35 110.869 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.5 p -103.16 -27.69 12.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 80.7 t -110.61 108.14 24.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.953 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.4 160.44 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.808 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 p -54.64 -31.56 57.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.152 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -60.56 -42.48 96.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 73.01 110.891 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -72.63 -39.91 66.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 73.31 111.103 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -70.96 -29.76 65.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 75.31 111.202 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.89 -29.82 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.406 . . . . 71.12 110.965 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -58.32 -40.62 82.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 74.25 110.981 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.13 -50.08 17.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.838 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.24 -44.1 92.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.132 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -56.56 -41.68 77.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 74.22 110.856 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -28.89 63.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.787 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.437 ' CD2' ' HD3' ' A' ' 97' ' ' ARG . 4.6 m-30 -79.85 -28.81 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 75.02 111.02 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.77 16.79 60.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 70.35 112.57 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.411 HG12 ' HB3' ' A' ' 137' ' ' TYR . 4.7 pt -110.11 157.08 38.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 75.24 111.472 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.32 154.78 61.12 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.584 2.189 . . . . 72.44 112.206 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -127.24 118.21 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.94 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.56 160.15 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 71.42 110.873 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -123.93 138.22 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.697 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 28.9 p -145.08 162.03 37.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 75.14 111.182 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.4 p -126.04 122.35 35.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 74.22 110.751 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.57 -21.62 48.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 74.24 111.516 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -85.06 -38.43 19.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.741 0.305 . . . . 73.52 111.209 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -102.08 -19.35 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 70.44 111.508 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 63.82 65.58 0.71 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.926 0.393 . . . . 73.44 110.666 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -124.58 106.97 10.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 74.34 111.047 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.15 2.63 87.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 74.31 112.918 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.7 t -52.67 -47.4 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.772 0.32 . . . . 61.34 111.417 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.04 -31.4 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 75.32 110.775 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -54.64 -54.57 39.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.066 -0.516 . . . . 60.53 111.037 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.26 -50.57 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 63.32 111.18 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -61.4 -49.77 75.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.894 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -59.04 -36.12 74.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 74.1 110.921 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 86.6 m -59.61 -41.62 90.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 73.33 110.826 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -39.87 87.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 73.31 110.594 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.417 HG21 ' CD1' ' A' ' 46' ' ' ILE . 19.8 t -59.34 -37.82 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 72.45 110.978 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -76.36 -38.57 55.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 74.4 110.878 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.41 -45.26 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.54 110.78 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.53 -57.11 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.952 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -51.5 -32.7 28.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 74.55 111.159 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.0 -37.93 89.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 74.23 110.862 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.168 -0.92 . . . . 75.34 110.877 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.972 0.415 . . . . 75.21 111.225 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.413 HG22 ' CE2' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -87.86 145.01 26.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.804 -0.635 . . . . 73.41 110.786 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -94.42 130.71 40.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 75.41 110.692 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.413 ' CE2' HG22 ' A' ' 2' ' ' THR . 21.1 m-85 -125.3 120.22 30.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.122 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.16 119.05 24.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.22 110.621 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.1 95.32 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.389 -0.369 . . . . 75.25 110.988 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.1 t -81.28 102.31 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.959 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.3 t -82.85 140.92 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.5 111.153 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.9 m -149.82 153.16 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 75.3 111.026 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.01 -85.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.561 -0.828 . . . . 71.45 112.621 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -178.91 -173.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 62.1 111.073 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.76 45.07 2.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.774 -0.726 . . . . 75.15 112.551 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.4 41.99 0.02 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.773 -0.727 . . . . 71.23 112.474 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.6 m -117.91 -13.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.02 0.378 . . . . 75.12 112.02 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.18 25.82 42.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.516 -0.85 . . . . 74.34 112.283 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -58.61 -45.04 90.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.932 0.396 . . . . 75.12 110.828 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.9 p -72.16 -34.66 68.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.917 -0.583 . . . . 72.35 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.45 -61.37 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 73.24 111.206 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.42 HD12 ' CE2' ' A' ' 156' ' ' PHE . 2.8 pp -56.13 -27.16 52.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 73.24 111.015 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.1 m -67.91 -48.41 66.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 73.24 110.889 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.4 mp -70.5 -30.01 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.652 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -59.2 -37.75 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.54 110.854 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tp -76.68 -62.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 74.05 111.164 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.46 -48.36 80.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 72.15 110.964 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -112.61 -130.05 0.31 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.235 -0.439 . . . . 74.32 110.077 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 C--N 1.334 -0.093 0 O-C-N 122.063 -0.398 . . . . 71.43 110.882 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.853 0.359 . . . . 73.54 110.681 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.59 133.67 49.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 74.12 111.123 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -127.95 144.33 51.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.897 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -96.15 118.59 33.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.973 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.7 m -131.18 171.88 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 73.22 111.212 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.0 p -128.29 102.47 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 64.43 111.019 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mt -117.64 137.82 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 73.43 110.808 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.86 30.46 14.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 75.15 110.721 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.74 33.9 88.5 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.74 -0.743 . . . . 64.33 112.437 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -146.33 102.26 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 74.33 111.045 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.3 m -57.57 128.41 36.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 74.31 111.01 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 58.5 m -149.6 147.37 28.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 74.31 110.912 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.32 149.78 33.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 74.3 110.851 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.7 mt -123.72 75.43 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 74.12 110.929 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.33 97.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.4 110.878 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.6 mm -80.76 109.68 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 73.43 111.102 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -101.91 104.31 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 71.4 110.738 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -109.29 134.22 52.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.756 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.417 HG22 ' CD2' ' A' ' 71' ' ' TYR . 12.8 p -99.7 -173.74 2.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.865 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.187 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mtm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.674 0.273 . . . . 72.35 111.085 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -40.06 81.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.402 -0.363 . . . . 71.24 110.907 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -74.48 -31.67 62.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 74.02 110.82 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -66.05 -38.89 89.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.05 110.869 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.417 ' CD2' HG22 ' A' ' 58' ' ' THR . 23.2 m-85 -59.54 -39.6 84.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.124 -0.489 . . . . 74.33 111.056 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mtt -71.97 -46.47 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 64.22 110.699 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.411 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 63.6 mtp180 -67.13 -14.33 62.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.932 -0.576 . . . . 73.13 111.431 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.1 p -102.84 -23.0 13.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.762 0.315 . . . . 73.5 111.016 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.56 152.47 21.15 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.676 -0.773 . . . . 64.24 112.888 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -95.52 -15.55 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.613 0.244 . . . . 74.31 111.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.46 -175.55 19.54 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.649 -0.786 . . . . 71.45 112.382 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.416 ' CE1' HG21 ' A' ' 100' ' ' ILE . 73.1 m-85 -152.81 132.34 12.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 74.12 111.139 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.51 111.48 21.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.776 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.5 m -93.7 124.03 37.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.823 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.8 146.13 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 73.31 111.11 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.22 140.42 25.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.094 -0.503 . . . . 70.35 110.94 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.42 126.64 35.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 73.22 111.022 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.1 pt -62.11 -29.98 47.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 71.15 111.161 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -79.02 -24.51 43.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 61.31 111.101 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -110.61 108.26 18.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.405 -0.361 . . . . 65.12 110.744 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 m -70.08 -24.21 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.42 111.083 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -54.22 -41.54 68.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.379 -0.373 . . . . 71.54 111.051 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 m -58.82 -46.12 88.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 74.54 110.847 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.402 ' CE1' HD13 ' A' ' 133' ' ' LEU . 36.0 t80 -54.64 -24.28 20.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 75.21 111.144 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -79.79 -45.76 18.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.326 -0.397 . . . . 73.32 111.143 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -69.12 -33.61 73.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 70.43 111.129 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.8 mm -59.68 -26.12 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 116.416 -0.356 . . . . 73.51 111.029 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -76.04 -55.26 5.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 75.43 110.793 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -67.1 -33.95 76.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 75.41 111.28 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.19 -48.98 79.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 73.52 110.995 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.424 ' HD2' ' CE1' ' A' ' 137' ' ' TYR . 2.7 ttt180 -54.99 -31.6 61.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 72.14 110.937 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -66.87 -34.95 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 71.33 110.743 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -38.27 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 72.12 110.694 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.416 HG21 ' CE1' ' A' ' 78' ' ' PHE . 32.3 mt -64.54 -47.1 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 64.44 110.837 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -62.21 -27.49 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.34 111.071 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -72.46 -58.94 2.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 74.3 110.749 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.411 ' CG1' ' CG ' ' A' ' 73' ' ' ARG . 48.1 t -62.55 -51.27 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 74.44 110.971 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -64.87 -26.24 68.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 75.22 110.813 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 t0 64.96 40.27 5.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 74.34 110.773 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t -157.02 146.23 20.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 45.3 110.78 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -86.03 -26.32 25.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 64.13 111.112 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -105.9 89.67 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.406 -0.361 . . . . 75.1 111.068 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.4 m -116.52 152.58 48.38 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 74.24 111.011 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.93 100.95 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.556 2.171 . . . . 73.43 112.222 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 12.7 ptp -147.99 166.17 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 73.41 111.052 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.3 t -143.7 145.22 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 73.23 111.082 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.2 tp -106.35 103.62 13.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.704 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 20.3 t -96.81 147.2 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.916 0.389 . . . . 73.42 111.241 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.56 96.36 0.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 71.11 112.437 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -73.29 165.56 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 73.14 110.84 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.9 mttt 61.17 60.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 75.22 110.852 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 23.9 t -97.86 -15.58 20.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 74.13 111.102 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -93.31 20.59 6.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.59 -0.277 . . . . 74.25 111.212 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.0 mt -93.62 174.54 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.722 0.296 . . . . 65.03 110.784 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.79 26.88 9.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 74.24 111.024 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.55 76.93 1.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 64.22 111.272 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 107.61 19.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 62.33 110.589 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 33.5 p -83.4 -48.83 9.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.837 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.5 t -83.74 102.86 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 71.55 111.009 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -58.26 159.66 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 65.45 110.903 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.8 t -56.12 -43.64 78.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 54.02 111.056 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -55.72 -37.33 68.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.958 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -69.94 -36.45 75.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.988 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 141' ' ' TYR . . . -73.29 -41.81 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 73.33 111.129 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -29.31 69.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.41 -44.87 72.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 71.33 111.042 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.402 HD13 ' CE1' ' A' ' 90' ' ' PHE . 20.8 mt -72.08 -47.65 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 72.24 111.025 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.35 81.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 54.31 111.052 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -76.18 -34.52 59.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.844 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.6 t -74.76 -31.42 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 64.33 110.63 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.424 ' CE1' ' HD2' ' A' ' 97' ' ' ARG . 21.6 m-85 -89.4 -20.43 23.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 74.21 111.033 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.01 17.63 64.8 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.709 -0.758 . . . . 53.34 112.541 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.4 pt -112.38 156.55 42.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.328 . . . . 73.22 111.487 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -69.84 161.99 43.83 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.64 2.227 . . . . 72.5 112.524 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 130' ' ' ALA . 18.1 t80 -131.4 102.57 6.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 73.05 110.583 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.34 143.47 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 75.52 111.2 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -108.7 132.2 54.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.844 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 19.9 p -149.82 171.48 16.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 71.44 111.182 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.18 128.35 25.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.001 -0.545 . . . . 70.53 110.594 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.0 -14.28 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.14 111.545 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -83.81 -66.12 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.298 . . . . 74.43 111.242 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 47.6 p -77.98 -18.71 55.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 75.33 111.273 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 64.25 60.28 0.97 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.951 0.405 . . . . 72.4 110.709 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -112.43 115.55 28.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 75.3 110.952 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 75.23 9.02 84.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.837 -0.697 . . . . 73.3 112.997 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.83 -54.27 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 120.814 0.34 . . . . 74.0 111.214 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.34 -31.34 70.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.859 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -55.9 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 74.32 110.961 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.74 -48.16 75.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 64.03 111.091 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.42 ' CE2' HD12 ' A' ' 19' ' ' LEU . 10.4 m-85 -58.88 -52.99 63.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 74.4 110.944 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -55.05 -27.48 44.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 73.42 111.108 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 3.7 m -57.4 -40.25 77.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.359 -0.382 . . . . 64.05 110.888 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -43.92 95.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 73.4 110.623 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 43.7 t -52.53 -49.53 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.993 -0.549 . . . . 71.14 111.27 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -34.5 77.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 74.41 110.645 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -49.48 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 75.41 110.818 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.415 HG23 HD13 ' A' ' 163' ' ' ILE . 43.9 mt -59.95 -38.95 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.322 -0.399 . . . . 74.43 111.041 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -51.77 -28.14 14.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.848 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -118.58 78.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 75.32 110.9 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.246 -0.883 . . . . 74.14 110.756 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.878 0.37 . . . . 72.34 111.413 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.42 HG22 ' CE2' ' A' ' 4' ' ' TYR . 1.0 OUTLIER -95.04 137.51 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 75.12 110.731 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.23 120.9 34.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.497 . . . . 71.45 111.001 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.42 ' CE2' HG22 ' A' ' 2' ' ' THR . 44.4 m-85 -111.42 157.43 20.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 74.34 110.911 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.86 101.12 7.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.796 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.9 mt -91.28 112.57 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 74.2 110.94 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.6 t -94.06 102.13 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 64.23 111.332 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.88 140.09 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 74.12 110.843 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.33 -178.67 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 70.33 111.219 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.78 165.57 13.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.854 -0.688 . . . . 43.15 112.553 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.16 141.18 51.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.701 0.286 . . . . 75.31 111.085 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.43 -24.85 11.78 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.889 -0.672 . . . . 74.12 112.764 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.03 49.65 1.0 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 73.4 112.493 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.34 -9.37 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.575 0.226 . . . . 74.22 111.606 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.77 5.36 78.04 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.706 -0.759 . . . . 72.01 112.767 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -59.06 -36.26 74.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.879 0.371 . . . . 75.33 110.774 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -58.83 -38.91 79.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 62.53 110.637 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.96 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 64.4 111.28 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.9 mt -58.1 -49.55 76.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 65.41 111.071 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.4 m -58.69 -58.88 6.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 75.44 110.991 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.06 -28.86 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.35 111.015 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -73.3 -42.02 62.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.39 -0.368 . . . . 73.23 110.912 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -76.31 -8.8 57.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.41 111.348 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.7 mm -114.61 -68.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.834 0.35 . . . . 64.24 111.229 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -84.34 -25.96 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 62.12 111.249 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.064 0.459 . . . . 65.53 110.908 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.802 0.334 . . . . 73.15 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -145.07 112.48 6.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 74.43 110.935 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -126.06 132.71 51.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 73.24 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -87.66 136.0 33.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.923 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -139.17 176.1 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 74.24 111.098 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.96 100.84 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 74.14 111.152 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.6 mm -90.41 103.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 72.21 111.069 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 60.43 34.9 20.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.43 110.935 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.39 -35.54 4.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 74.14 112.617 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -80.49 123.31 27.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 60.32 110.859 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.9 m -78.24 127.06 31.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 63.35 110.911 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 m -142.21 146.24 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 75.35 110.765 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.35 149.01 33.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 72.22 110.828 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.7 mt -125.47 91.81 3.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 75.44 110.927 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -85.96 97.95 10.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 73.34 110.847 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.1 mm -83.45 110.2 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.108 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.3 tp -83.61 129.05 34.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.809 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -106.0 101.26 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 73.34 110.665 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.7 p -75.43 -176.86 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 73.12 110.986 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.175 -179.866 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.786 0.327 . . . . 71.02 110.842 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -60.67 -29.46 69.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.925 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -27.96 61.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 73.51 111.177 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -69.76 -33.09 71.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.323 -0.399 . . . . 74.44 110.957 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -72.27 -36.08 68.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 73.51 111.051 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.9 mtt -58.35 -36.05 72.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.307 -0.406 . . . . 74.12 110.94 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -75.59 -16.02 60.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 71.13 111.351 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.5 p -107.0 -18.68 13.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.51 -0.313 . . . . 72.32 111.313 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.88 144.46 17.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 72.33 112.604 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.02 -17.29 29.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.658 0.266 . . . . 73.32 111.165 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.05 -178.84 27.15 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.755 -0.736 . . . . 71.31 112.395 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -148.63 144.51 27.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.868 0.366 . . . . 72.12 111.231 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.81 121.42 37.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 75.53 110.742 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 82.9 m -95.96 112.14 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 60.24 110.965 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.2 t -99.62 111.0 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 74.23 111.027 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -116.08 159.56 21.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 71.24 110.631 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.18 124.27 50.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.99 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pt -65.39 -28.08 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.916 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -82.64 -8.64 59.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.984 -0.553 . . . . 73.22 111.113 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -123.66 106.67 10.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.752 0.311 . . . . 75.41 110.711 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.2 m -64.1 -29.93 71.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 70.12 111.065 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.18 -47.65 84.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 72.22 111.068 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.4 p -55.18 -45.43 75.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 75.34 111.157 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 28.2 t80 -59.33 -37.36 77.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 74.15 110.933 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.43 -27.72 61.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 72.31 111.109 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.439 ' HA ' ' NE2' ' A' ' 95' ' ' GLN . 67.3 m-20 -76.35 -45.4 32.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 62.35 111.144 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 24.0 mm -47.72 -29.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 74.02 111.005 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -64.2 -54.04 39.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.547 . . . . 72.14 110.868 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.498 ' HG2' ' N ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -68.33 -29.85 68.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 74.14 110.958 -179.437 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.498 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 8.6 m-85 -59.54 -29.52 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.946 -0.57 . . . . 73.54 110.904 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -73.24 -38.45 66.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.384 . . . . 75.24 110.38 179.654 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.57 -27.48 49.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 75.34 110.864 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -76.5 -33.15 58.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 75.12 110.809 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.8 mt -73.02 -49.16 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.924 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -55.48 -38.62 69.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 75.03 111.075 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -59.11 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 75.44 111.024 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.13 -52.91 56.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 71.2 110.875 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -62.7 -24.66 67.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 74.01 110.764 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.98 35.8 7.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.42 . . . . 73.54 110.706 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.1 t -158.83 140.75 13.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 75.31 110.718 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -74.52 -42.71 58.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 70.31 111.196 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -90.01 82.94 6.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 72.34 111.174 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 25.1 m -105.91 152.44 40.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.347 -0.388 . . . . 72.24 110.881 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.92 109.87 2.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.492 2.128 . . . . 74.31 112.321 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.3 ptp -157.04 171.11 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 75.43 111.035 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.0 t -143.05 150.51 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 71.32 111.112 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.9 tp -114.09 112.1 22.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.725 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 20.9 t -105.15 142.29 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 75.23 111.385 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.45 82.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.881 -0.676 . . . . 70.21 112.364 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -63.71 176.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 74.41 111.031 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.61 75.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.2 110.822 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 2.6 t -105.1 -25.37 12.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 75.54 111.182 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -99.37 15.66 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.411 -0.359 . . . . 63.23 111.481 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.05 -20.52 66.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.741 0.305 . . . . 72.25 111.114 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 59.64 19.42 8.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.37 . . . . 74.44 111.284 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -150.67 49.13 0.87 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.816 0.341 . . . . 74.42 111.084 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -66.41 158.91 28.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 75.11 111.055 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.0 p -128.34 -47.58 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 71.21 110.709 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.6 t -90.76 102.33 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 63.34 111.013 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.08 162.88 1.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.02 110.933 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.4 m -58.56 -43.39 89.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.545 . . . . 73.12 111.197 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -55.4 -50.46 69.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.416 . . . . 73.24 111.086 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -57.41 -41.81 81.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 74.33 111.014 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.42 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -70.83 -29.78 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 65.51 111.128 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -29.65 61.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.958 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.56 -44.33 80.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 72.42 110.925 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 16.0 tp -71.7 -49.23 41.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 74.2 110.878 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.62 82.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 72.44 111.153 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 75.15 110.869 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.7 t -70.76 -33.32 70.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.619 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.441 ' CD2' ' HD3' ' A' ' 97' ' ' ARG . 4.1 m-30 -74.63 -26.71 60.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 75.42 110.989 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.82 15.02 62.02 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.807 -0.711 . . . . 71.02 112.703 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.4 pt -113.54 156.62 43.16 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.765 0.317 . . . . 74.43 111.406 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.05 163.29 39.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.535 2.157 . . . . 73.02 112.138 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -131.56 104.93 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 73.31 110.805 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.9 mp -108.47 149.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 71.34 111.047 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -118.51 132.07 56.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 62.32 110.707 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 10.0 p -141.23 -178.1 5.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 64.55 111.017 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.4 p -147.52 123.83 10.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.008 -0.542 . . . . 72.01 110.657 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.87 -33.29 68.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.338 -0.392 . . . . 74.12 111.316 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -78.72 -49.71 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 75.11 111.147 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -23.43 37.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.391 . . . . 75.12 111.231 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 61.46 65.77 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.92 0.391 . . . . 74.01 110.617 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -122.1 124.9 44.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 64.32 111.035 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 54.08 24.45 28.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.904 -0.665 . . . . 71.41 112.818 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.64 -55.39 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 74.35 111.056 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.418 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 9.7 mt-10 -64.29 -30.03 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 64.14 110.947 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -58.86 -33.25 70.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.255 -0.43 . . . . 73.33 110.923 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -71.7 -39.26 70.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 64.54 111.218 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.424 ' CD2' HD13 ' A' ' 23' ' ' LEU . 41.7 m-85 -72.83 -49.49 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.52 111.248 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.8 m-85 -53.65 -30.74 44.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 73.51 111.202 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.3 m -58.34 -40.94 83.52 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.917 0.389 . . . . 73.43 110.84 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.4 -40.58 94.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 75.11 110.522 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.7 t -51.74 -47.78 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.953 -0.567 . . . . 75.43 111.134 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -67.98 -28.7 67.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.765 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -72.77 -52.23 15.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 74.3 110.824 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 29.2 mt -57.59 -48.32 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.291 -0.413 . . . . 71.23 111.127 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -57.05 -38.14 72.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.802 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 75.32 110.795 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.266 -0.874 . . . . 63.13 110.88 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 tpp . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.918 0.39 . . . . 74.0 111.221 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.423 HG23 ' CZ ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -83.87 149.75 26.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 75.05 110.696 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -104.45 117.71 34.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 72.51 110.749 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.423 ' CZ ' HG23 ' A' ' 2' ' ' THR . 47.6 m-85 -109.1 108.81 19.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 74.43 111.135 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.08 91.95 9.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.722 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' CD1' ' CD1' ' A' ' 55' ' ' ILE . 10.7 mt -88.47 112.23 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.032 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.417 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 94.8 t -87.8 133.84 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 120.987 0.422 . . . . 74.32 111.007 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 t -116.65 117.06 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 115.811 -0.631 . . . . 74.41 111.134 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.8 m -94.11 167.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 73.14 110.987 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.411 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -120.23 -170.05 14.18 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 73.42 112.57 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 178.36 37.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 72.14 111.345 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.73 135.3 0.01 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.837 -0.697 . . . . 73.01 112.867 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.23 22.95 63.67 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.854 -0.689 . . . . 71.12 112.911 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 82' ' ' PHE . 13.1 m -123.15 102.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 74.44 111.249 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.74 60.29 2.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.848 -0.691 . . . . 74.31 112.536 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -19.05 65.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 75.3 110.941 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -80.01 -35.72 36.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.909 0.385 . . . . 71.11 110.817 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.49 -54.91 40.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.939 -0.573 . . . . 75.25 111.085 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.403 HD12 ' CE2' ' A' ' 156' ' ' PHE . 3.7 pp -59.63 -26.58 65.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 72.14 111.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 m -65.43 -52.39 53.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 74.22 111.199 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.86 -28.55 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.1 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -55.31 -40.81 71.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 74.11 110.873 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 tp -76.71 -39.62 51.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.921 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.2 mm -61.78 -55.04 26.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.349 -0.387 . . . . 74.34 111.196 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -125.84 -98.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 74.22 110.766 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.5 p30 . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.874 0.368 . . . . 72.21 110.932 179.851 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.768 0.318 . . . . 74.54 110.601 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 ptt85 -143.42 139.54 29.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 74.22 110.788 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.29 138.77 46.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.832 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -100.72 114.73 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 75.11 110.96 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.6 m -132.4 -174.65 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.862 -0.608 . . . . 74.21 110.708 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.2 p -127.85 109.03 19.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 74.43 111.15 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mm -97.62 115.37 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.887 -0.597 . . . . 64.23 111.002 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t70 65.22 42.18 4.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 75.41 111.052 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.66 21.7 69.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 72.23 112.769 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -127.8 97.14 4.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.832 0.349 . . . . 73.41 110.751 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.5 m -52.11 132.64 33.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.54 111.006 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 62.3 m -154.42 157.1 37.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 74.24 110.826 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.82 140.14 29.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.839 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.2 mt -122.43 90.95 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 73.23 110.943 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.24 91.38 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 71.1 110.806 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.41 ' CD1' ' CD1' ' A' ' 6' ' ' LEU . 10.0 mm -78.88 114.59 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 75.53 110.975 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.52 123.35 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 75.25 110.765 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -118.07 92.62 3.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 73.5 110.832 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.4 p -75.44 -175.97 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.842 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 71.12 111.243 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.808 0.337 . . . . 74.35 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -39.57 82.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 75.32 110.805 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.96 -23.61 62.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 72.32 110.661 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -78.46 -48.01 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.813 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -72.95 -48.86 33.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.915 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.9 mtt -56.64 -33.1 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 75.03 110.841 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.403 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 72.3 mtp180 -81.12 -21.57 39.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 75.23 111.018 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.3 p -103.6 12.8 34.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 63.25 111.131 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.09 134.14 12.05 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.468 -0.872 . . . . 74.41 112.728 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -80.9 -17.06 51.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.654 0.264 . . . . 74.52 111.127 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.55 167.74 35.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 73.01 112.435 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.429 ' CE2' HG21 ' A' ' 100' ' ' ILE . 99.0 m-85 -132.14 138.04 47.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 73.34 111.079 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.25 123.31 47.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.679 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 88.1 m -96.22 105.73 17.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 71.35 110.97 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.5 t -102.04 111.39 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 72.45 111.072 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' HD13 ' A' ' 113' ' ' LEU . 8.5 p90 -124.14 144.59 49.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.791 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.13 123.69 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.979 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 pt -61.71 -26.02 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.23 111.303 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -76.46 -28.82 56.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 72.31 111.098 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -108.38 111.11 22.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 75.11 110.909 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.9 m -72.23 -24.29 61.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.182 -0.463 . . . . 73.25 111.062 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -59.25 -37.41 77.51 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.896 0.379 . . . . 75.52 110.589 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.76 -33.48 70.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 72.34 110.515 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.66 -31.6 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 75.44 110.638 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.12 -31.66 55.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 70.23 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.86 -31.8 71.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.89 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.8 mm -59.43 -30.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 75.43 110.695 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -72.49 -55.42 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 75.41 111.088 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -28.81 68.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 53.22 111.027 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.411 ' CE2' ' O ' ' A' ' 10' ' ' GLY . 5.3 m-85 -69.84 -48.23 59.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 70.3 110.627 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.53 -31.71 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 73.02 111.006 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.81 -38.72 92.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 74.33 111.069 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.32 -41.87 90.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 74.02 111.016 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.429 HG21 ' CE2' ' A' ' 78' ' ' PHE . 25.8 mt -58.85 -46.75 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 72.04 110.95 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -55.91 -31.4 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 74.24 111.071 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.31 -58.94 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.765 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.403 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 44.4 t -59.58 -58.64 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 73.03 110.937 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -59.27 -24.81 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.897 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 64.69 42.5 4.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 74.33 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.5 p -161.98 159.24 26.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 74.44 110.753 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -93.0 -24.11 18.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.44 111.159 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -108.89 85.66 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 64.33 111.064 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 14.5 m -108.5 151.2 41.48 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 73.42 110.943 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -68.52 101.12 0.72 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.521 2.147 . . . . 74.45 111.998 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 8.7 ptp -150.15 166.52 29.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 73.52 111.262 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 49.6 t -141.84 147.43 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.881 -0.599 . . . . 73.14 110.956 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 82' ' ' PHE . 6.7 tp -106.44 101.51 10.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 72.54 110.927 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 20.4 t -99.4 143.5 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 70.42 111.113 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -118.46 95.44 0.63 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 71.24 112.477 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -69.06 174.82 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 72.44 110.833 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.8 mttt 60.22 61.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 75.41 110.876 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.6 t -97.18 -27.45 14.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 63.41 110.941 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -74.39 -26.06 59.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 72.44 111.171 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.7 mt -52.01 145.19 10.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.37 -0.377 . . . . 74.4 111.053 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.86 29.32 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 71.45 111.196 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.43 74.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 64.23 111.026 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.84 114.12 26.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.538 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.4 p -86.36 -50.67 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 74.52 110.798 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.69 96.74 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.876 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -55.17 156.11 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 62.31 110.968 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.7 t -54.58 -24.39 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 61.44 111.221 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -59.85 -52.41 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.395 . . . . 73.12 110.948 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -59.61 -40.36 87.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.42 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.09 66.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 63.3 111.183 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.86 -44.35 32.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.23 110.969 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -59.09 -33.73 71.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 71.13 110.935 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.2 tp -81.21 -51.45 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.796 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.56 -46.45 86.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.422 . . . . 74.43 111.167 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -59.09 -28.43 66.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 74.22 111.001 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.3 m -74.29 -40.74 62.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 70.11 110.766 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -70.29 -21.58 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 71.21 111.073 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.66 17.34 64.03 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.667 -0.778 . . . . 62.44 112.477 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.1 pt -110.46 156.77 39.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.714 0.292 . . . . 73.22 111.322 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.88 149.47 66.17 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.592 2.194 . . . . 73.4 112.484 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -120.58 117.68 28.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.644 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.2 mp -124.2 147.81 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.43 111.089 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -116.82 135.84 53.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.813 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 27.3 p -146.23 179.88 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 71.44 111.084 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.2 118.13 8.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.025 -0.534 . . . . 75.14 110.73 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.8 -27.2 68.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 75.2 111.353 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -75.87 -65.86 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.429 -0.35 . . . . 74.35 111.162 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 p -73.84 -20.61 60.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.409 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 63.7 66.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.938 0.399 . . . . 72.22 110.716 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.52 125.02 48.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 75.01 111.031 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 59.07 18.18 40.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.824 -0.703 . . . . 73.24 112.938 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.5 t -54.8 -55.31 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.912 0.386 . . . . 75.05 111.105 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -61.08 -35.62 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 74.25 110.711 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.06 -54.1 17.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 73.22 111.06 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.7 -33.15 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.968 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.403 ' CE2' HD12 ' A' ' 19' ' ' LEU . 5.6 m-85 -68.03 -55.58 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 73.33 110.835 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -57.15 -29.52 63.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 74.42 111.006 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 69.9 m -58.95 -45.97 89.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 64.02 110.856 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -43.33 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 64.15 111.057 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.4 t -56.39 -51.79 59.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 75.45 111.205 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -57.05 -31.72 65.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 72.33 111.124 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.63 -39.87 76.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 75.03 110.828 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 44.5 mt -69.07 -41.28 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 72.3 111.255 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -54.59 23.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.451 . . . . 72.32 111.145 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -67.12 -30.19 70.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 75.25 110.963 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.081 -0.961 . . . . 72.21 110.741 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.986 0.422 . . . . 73.31 111.353 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.5 147.64 26.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.793 -0.64 . . . . 64.1 110.784 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.53 124.58 48.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 70.14 110.744 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -115.58 121.28 42.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 75.4 111.024 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.06 93.75 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 74.03 110.728 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.55 95.29 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.21 111.062 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.7 t -82.53 102.17 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 74.13 111.058 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.27 138.66 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 72.25 111.179 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -124.93 169.5 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.023 -0.535 . . . . 63.54 110.901 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.75 156.46 27.99 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.565 -0.826 . . . . 65.22 112.7 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.77 20.37 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.725 0.298 . . . . 72.31 111.222 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.51 39.26 22.47 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.686 -0.769 . . . . 70.15 112.891 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.34 43.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.484 -0.865 . . . . 63.52 113.074 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -111.73 -28.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 72.41 111.269 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.69 21.75 10.97 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.777 -0.725 . . . . 74.11 112.741 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -29.81 68.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 73.34 111.098 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 p -77.87 -34.03 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 65.52 111.106 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.29 -28.43 67.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 74.41 111.359 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -75.09 -40.53 59.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 75.41 110.979 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.426 HG23 ' CD1' ' A' ' 40' ' ' TYR . 96.2 m -57.77 -57.58 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 75.44 110.874 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.1 mt -59.96 -39.4 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.828 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.83 -35.88 75.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.69 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -71.19 -25.6 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 64.0 110.942 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mp -106.83 -79.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 70.21 111.02 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -60.94 -34.81 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.42 111.344 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.851 -179.859 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CD1' HG23 ' A' ' 20' ' ' THR . 4.2 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.805 0.336 . . . . 74.23 110.874 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -117.16 114.67 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.928 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -110.26 146.75 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 75.33 110.949 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -100.77 121.94 42.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.737 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.3 m -137.1 -177.19 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 63.4 111.126 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.3 t -121.91 100.91 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 75.43 111.009 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.1 mm -84.63 100.72 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.992 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 63.31 57.55 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 74.35 110.873 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.86 27.28 61.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 75.33 112.582 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -134.16 104.7 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 65.54 110.901 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -58.99 122.32 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 73.12 110.961 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.2 m -148.5 145.46 27.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 62.13 110.883 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.59 150.93 32.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 72.55 110.837 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.0 mt -127.31 73.64 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.752 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.0 99.43 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 75.34 110.925 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.8 mm -79.51 108.31 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 75.35 110.975 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' CD1' ' CG2' ' A' ' 58' ' ' THR . 3.2 tm? -89.32 102.45 15.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 70.05 110.925 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -104.56 107.96 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 71.11 110.848 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.406 ' CG2' ' CD1' ' A' ' 56' ' ' LEU . 17.2 p -89.23 -175.98 4.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.979 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 72.32 111.033 179.879 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.409 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 9.5 mmt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.78 0.324 . . . . 75.21 110.887 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -34.32 70.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.97 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.14 -34.1 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.522 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -64.64 -43.74 92.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 62.02 110.738 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.409 ' CD2' ' O ' ' A' ' 67' ' ' MET . 14.8 m-85 -72.38 -44.2 62.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 71.55 111.027 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.4 mmt -59.17 -50.0 75.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.031 0.443 . . . . 75.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.423 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 52.2 mtp180 -61.42 -35.05 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.857 -0.61 . . . . 73.54 111.163 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.7 p -85.92 -16.2 39.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 63.13 111.402 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.96 137.04 17.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.622 -0.799 . . . . 71.04 112.779 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -89.72 -12.47 39.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.602 0.239 . . . . 74.25 110.93 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.83 178.35 35.06 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.878 -0.677 . . . . 72.2 112.237 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -148.67 148.34 29.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.309 . . . . 73.1 111.068 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.38 113.72 21.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.22 110.869 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 86.6 m -90.01 106.76 18.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.312 -0.404 . . . . 72.41 111.041 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.0 t -102.02 120.48 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 64.24 111.059 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CB ' HG13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -122.52 144.1 49.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 75.34 110.922 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.39 124.56 38.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.406 . . . . 74.2 111.176 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.6 pt -64.87 -28.82 45.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.91 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.92 9.72 21.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.863 -0.608 . . . . 71.14 111.357 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -138.26 94.18 2.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.831 0.348 . . . . 74.35 110.898 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -59.27 -24.58 63.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.35 111.089 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -44.83 72.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.346 -0.388 . . . . 73.04 110.746 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -56.97 -43.8 81.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.984 0.421 . . . . 61.41 110.693 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.405 ' CE1' HD23 ' A' ' 133' ' ' LEU . 10.2 t80 -59.56 -25.3 64.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 74.41 110.841 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -77.71 -35.23 52.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 64.11 110.991 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.409 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 22.2 m-20 -75.23 -34.06 61.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 73.43 111.072 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.414 HG13 ' CB ' ' A' ' 82' ' ' PHE . 20.9 mm -59.77 -29.39 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.281 -0.418 . . . . 74.42 110.945 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -73.95 -55.45 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.872 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.66 -28.52 68.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.15 111.212 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 2.2 m-85 -58.12 -35.19 71.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 75.24 111.011 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -61.03 -39.35 89.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 70.11 110.822 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -57.38 -30.04 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -37.1 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.802 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.4 mt -70.06 -50.6 46.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.1 111.138 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -50.73 -40.23 53.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.955 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -62.74 -59.08 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.41 111.14 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.423 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 61.2 t -57.64 -63.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 62.44 110.982 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -59.58 -24.07 63.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 75.14 110.727 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.1 t0 60.55 43.25 13.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.693 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 m -148.33 145.87 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 64.23 111.01 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -83.76 -28.34 28.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 74.22 111.039 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -103.54 78.42 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 73.24 111.115 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.406 ' CG1' ' HD2' ' A' ' 110' ' ' PRO . 41.4 t -90.75 136.04 28.32 Favored Pre-proline 0 N--CA 1.446 -0.649 0 CA-C-O 121.066 0.46 . . . . 73.22 111.024 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.406 ' HD2' ' CG1' ' A' ' 109' ' ' VAL . 60.4 Cg_endo -74.66 101.04 1.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 123.071 2.514 . . . . 72.51 112.232 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.27 175.91 10.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 74.11 111.021 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.0 t -141.62 152.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 75.32 111.376 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -109.06 132.89 53.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 74.44 110.713 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.0 m -133.26 157.57 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.41 . . . . 73.41 111.342 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.14 78.28 0.28 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 73.32 112.491 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.45 165.65 0.23 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.791 0.329 . . . . 72.52 111.053 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm 60.35 59.63 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.872 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.6 t -99.05 7.27 46.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 64.42 111.388 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -108.84 -23.42 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.735 0.302 . . . . 74.32 111.022 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.7 mt -52.1 171.17 0.05 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 74.24 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.49 25.59 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.392 -0.367 . . . . 71.34 111.42 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.86 59.32 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.36 . . . . 64.31 111.154 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -80.99 154.89 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 74.55 110.944 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.7 p -118.05 -50.38 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 75.0 110.662 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.7 t -87.76 103.87 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 73.33 110.894 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.03 157.45 1.76 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 62.23 111.127 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -49.36 76.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 71.03 111.287 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -34.94 60.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 75.44 111.115 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -65.3 -34.58 78.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 71.04 110.668 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 141' ' ' TYR . . . -78.15 -33.41 50.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.043 -0.526 . . . . 74.31 111.163 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -31.99 72.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 74.35 110.942 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -61.01 -36.85 80.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 75.44 110.865 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.405 HD23 ' CE1' ' A' ' 90' ' ' PHE . 21.5 tp -73.17 -51.48 17.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.882 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.22 99.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 74.31 111.096 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -60.83 -30.62 70.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 74.31 110.863 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.1 t -74.13 -32.4 63.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.661 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -81.17 -15.67 55.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 74.42 111.264 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.37 15.46 64.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.614 -0.803 . . . . 73.44 112.586 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 19.2 pt -110.73 155.12 42.79 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.669 0.271 . . . . 74.45 111.312 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.11 161.19 46.89 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.576 2.184 . . . . 71.33 112.388 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 130' ' ' ALA . 89.1 t80 -124.04 115.99 22.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.898 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.3 mp -114.66 160.33 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 73.23 111.089 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -124.08 119.77 30.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.422 . . . . 72.41 110.917 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 70.4 p -134.93 170.81 15.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 75.52 111.127 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.6 p -139.81 115.2 9.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 72.43 110.772 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.51 -23.11 66.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 71.21 111.323 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -83.42 -65.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.452 -0.34 . . . . 72.02 111.136 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 p -71.24 -21.73 62.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 62.24 111.354 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.25 68.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.861 0.363 . . . . 73.42 110.646 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.08 119.4 33.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.981 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 58.26 19.21 38.61 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.826 -0.702 . . . . 55.24 112.91 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.5 m -55.67 -36.0 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.747 0.308 . . . . 71.31 111.205 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -74.45 -34.26 63.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.89 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -40.23 76.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 71.1 110.792 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.63 75.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 61.31 111.155 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -66.08 -48.32 71.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 75.24 111.145 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -57.58 -37.03 72.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.367 -0.379 . . . . 75.43 111.107 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 25.6 m -55.75 -34.72 65.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.295 -0.411 . . . . 75.2 111.087 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -38.53 91.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 71.24 110.801 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 5.0 t -63.23 -39.92 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 63.12 111.065 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -68.82 -33.31 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 75.55 110.951 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.43 -50.79 34.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.03 111.009 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.64 -42.39 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.367 -0.379 . . . . 74.32 111.204 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -60.92 -33.91 73.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 75.41 110.964 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -72.04 -38.03 69.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 74.51 110.869 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 75.24 110.863 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.794 0.331 . . . . 74.41 111.265 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.94 149.91 21.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 65.02 110.744 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -103.83 114.89 29.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.81 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -105.67 140.16 39.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.12 111.085 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -115.64 92.36 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.785 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.4 mt -83.97 124.72 31.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 72.22 111.223 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.25 107.61 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 74.42 110.97 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.2 t -80.93 143.08 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 75.32 111.244 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.7 m -146.42 136.9 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.01 111.049 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.23 144.37 8.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 61.3 112.526 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.27 98.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.325 . . . . 61.52 111.051 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.66 -117.95 12.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 61.14 112.474 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.47 -84.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 51.33 112.396 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.9 m 40.97 31.49 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.778 0.323 . . . . 64.14 111.765 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.41 34.32 33.9 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.808 -0.71 . . . . 62.42 112.765 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -75.56 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 75.14 110.988 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -30.14 71.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 54.45 110.943 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.24 -43.14 74.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 72.21 111.269 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mt -54.22 -50.54 66.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 74.31 111.203 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -58.94 -54.0 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.02 111.027 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -41.1 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 72.13 111.087 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -56.67 -35.64 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 72.43 110.95 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.1 tp -76.71 -24.87 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 70.21 111.443 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.4 mm -109.65 -76.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.622 -0.263 . . . . 74.43 111.528 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -20.4 65.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 65.21 111.026 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.8 p30 . . . . . 0 C--N 1.333 -0.144 0 CA-C-N 116.318 -0.401 . . . . 75.14 111.623 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.901 0.381 . . . . 73.22 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -140.25 138.0 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 75.35 110.765 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.83 144.47 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 74.11 111.008 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -108.79 118.95 38.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.821 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.15 -179.43 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.13 111.178 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.08 102.51 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 73.21 111.07 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.5 mt -118.27 137.42 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.31 111.079 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.79 33.03 21.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 74.33 110.961 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.7 28.16 65.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.677 -0.773 . . . . 62.53 112.471 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -142.14 112.6 7.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 72.25 110.897 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.4 m -58.67 128.42 37.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 74.32 110.874 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.7 m -148.74 150.1 32.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 71.12 111.036 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.41 142.27 28.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 72.33 110.777 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.6 mt -114.21 101.83 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 74.03 110.988 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -91.07 92.98 8.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 73.34 110.703 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mm -83.13 108.96 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 63.32 111.157 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.75 129.28 44.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 55.22 110.389 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -115.16 102.64 10.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 62.42 111.01 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.8 p -87.25 -175.21 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 73.14 110.748 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 62.1 111.005 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.7 mtm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.798 0.332 . . . . 75.45 110.739 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.5 ttp85 -58.0 -37.76 74.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 74.21 110.687 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.31 -25.73 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 71.24 110.743 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -71.69 -31.42 66.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 74.23 111.007 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -74.04 -31.09 62.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.394 . . . . 74.22 111.04 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 mtt -62.49 -51.75 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 71.4 110.915 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.408 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 70.7 mtp180 -62.93 -20.0 64.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.532 . . . . 74.34 111.117 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.4 p -104.24 1.65 30.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 74.25 111.432 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.34 140.55 15.23 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.666 -0.778 . . . . 72.33 112.732 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -84.08 -20.97 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 65.35 110.818 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.67 177.2 32.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.823 -0.703 . . . . 62.31 112.26 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -141.65 136.85 31.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.355 . . . . 75.44 110.969 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.64 104.74 12.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 73.23 110.908 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.3 m -89.66 115.33 26.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 72.55 110.718 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.61 146.12 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 74.53 111.127 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.15 139.5 33.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.506 . . . . 75.43 110.701 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.45 124.43 38.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 75.41 111.233 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pt -61.77 -18.45 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.399 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.55 17.58 22.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.479 -0.328 . . . . 72.33 111.141 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.59 87.26 2.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.866 0.365 . . . . 75.52 110.7 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -55.18 -24.67 28.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 74.15 111.236 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -72.92 -32.49 65.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.394 -0.366 . . . . 70.44 110.735 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.9 t -70.42 -38.44 74.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 55.12 110.902 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 8.4 t80 -56.5 -36.83 69.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.764 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.8 -27.16 60.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 74.42 111.006 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.41 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 0.4 OUTLIER -69.27 -32.11 71.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 75.21 110.952 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.0 mm -60.16 -30.23 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 73.21 111.137 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -72.82 -55.51 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.843 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -65.77 -28.69 69.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 74.53 111.163 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.1 m-85 -58.03 -36.37 72.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.355 -0.384 . . . . 74.42 111.003 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.419 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -68.93 -32.59 72.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 74.02 110.736 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.9 -30.05 69.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.884 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -73.3 -41.63 63.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.426 . . . . 74.12 110.904 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.1 mt -69.09 -46.37 78.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.963 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -57.88 -29.03 64.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 75.22 111.016 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -58.69 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 74.43 110.797 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.408 ' CG1' ' CG ' ' A' ' 73' ' ' ARG . 26.2 t -60.74 -58.1 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 75.11 111.057 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -63.46 -23.41 67.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 74.41 111.181 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 61.36 44.71 9.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.005 0.431 . . . . 63.21 110.828 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t -152.44 136.88 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 74.34 110.815 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -32.2 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 75.35 110.884 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.69 94.86 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.029 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.1 m -113.19 153.35 45.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 74.14 110.987 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.94 107.99 2.21 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.636 2.224 . . . . 73.12 112.375 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 12.4 ptp -152.53 173.93 14.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.931 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.7 t -145.47 153.59 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 75.41 111.17 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.9 tp -114.61 106.31 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 75.21 110.923 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.83 150.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.33 111.257 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.36 97.86 0.79 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 45.21 112.355 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -75.51 161.58 29.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 73.33 110.999 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.25 69.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.949 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.4 t -116.68 24.52 11.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 73.22 111.015 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -111.12 -55.78 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 74.43 110.835 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -54.42 158.16 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 71.42 110.939 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -108.9 43.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 71.43 111.163 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.69 56.36 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 63.54 111.114 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -96.32 160.23 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.422 . . . . 73.21 111.056 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.8 p -114.85 -37.08 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 71.23 110.768 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 88.3 t -101.48 141.88 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 64.51 110.781 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -94.62 158.18 15.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.777 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -17.81 64.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 75.41 111.22 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -61.71 -60.64 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.526 -0.306 . . . . 74.24 110.979 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -62.93 -42.92 99.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 62.5 110.962 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.425 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -58.52 -32.6 68.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.025 -0.534 . . . . 73.4 111.175 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -34.93 68.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.915 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.59 -43.87 93.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 72.22 110.867 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -66.05 -51.53 57.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 73.3 111.044 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.25 -43.76 93.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 75.52 111.125 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -57.89 -41.47 82.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 71.31 110.845 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.2 t -68.14 -29.59 68.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.768 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.419 ' CD2' ' HD3' ' A' ' 97' ' ' ARG . 4.0 m-30 -73.47 -24.01 60.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 75.52 111.103 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.98 14.77 62.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.675 -0.774 . . . . 72.53 112.647 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.2 pt -113.51 155.26 45.05 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.692 0.282 . . . . 74.11 111.357 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.05 150.13 53.82 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.544 2.162 . . . . 71.25 112.361 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -122.67 107.54 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.723 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.0 mp -109.33 156.86 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 73.21 111.046 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -119.85 130.42 54.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.813 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 29.4 p -138.35 173.78 11.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 73.22 111.025 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.4 p -140.51 116.2 10.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 71.4 110.748 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.03 -23.69 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 75.31 111.29 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -82.72 -56.56 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.406 -0.361 . . . . 75.31 111.154 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.15 -21.06 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 74.22 111.419 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 66.13 69.5 0.44 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.875 0.369 . . . . 75.44 110.83 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.27 119.79 33.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 71.34 110.911 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 54.67 27.88 44.19 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.865 -0.683 . . . . 65.2 112.572 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.6 t -57.37 -55.46 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 72.03 111.166 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.416 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 14.0 mt-10 -67.27 -26.66 66.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 73.53 110.966 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -42.7 80.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 74.21 110.954 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -67.56 -40.79 84.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 63.24 111.015 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -66.02 -50.09 65.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.849 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.416 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.2 m-85 -55.45 -32.53 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 72.52 110.984 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 18.1 m -58.62 -37.89 76.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 70.25 110.919 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.7 -41.59 95.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 74.1 110.881 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.5 t -56.88 -41.7 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 63.32 110.986 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -69.2 -33.93 74.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 72.34 110.698 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.19 -49.98 57.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 74.23 110.721 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.66 -49.34 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.141 -0.481 . . . . 64.24 111.165 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -47.87 -47.87 31.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.956 -0.565 . . . . 75.24 111.2 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -75.83 -30.43 58.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.375 . . . . 53.41 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.216 -0.897 . . . . 74.42 110.879 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.867 0.365 . . . . 63.54 111.3 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.412 HG23 ' CZ ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -79.92 149.77 30.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.739 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.55 123.17 47.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.864 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.412 ' CZ ' HG23 ' A' ' 2' ' ' THR . 34.8 m-85 -111.33 160.82 16.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.064 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -127.79 94.95 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.924 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.25 109.87 16.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.92 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.0 t -93.74 102.19 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.31 111.262 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.3 t -96.8 121.29 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.34 111.067 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.7 m -98.17 174.29 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 75.32 111.129 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -106.7 -177.41 23.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.635 -0.793 . . . . 60.13 112.491 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.62 30.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 74.34 111.063 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.22 -86.61 0.59 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 74.23 112.59 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.46 78.0 0.3 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.681 -0.771 . . . . 52.44 112.629 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -142.96 -178.16 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 75.23 111.314 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -120.55 47.46 1.02 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 64.02 112.578 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.7 79.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.732 0.301 . . . . 72.2 110.754 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -71.1 -43.01 68.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 75.25 110.824 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.82 97.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 70.52 111.235 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.5 mt -56.6 -33.57 66.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 73.21 111.041 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.6 m -74.4 -57.33 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 73.2 111.123 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.8 mm -53.26 -33.05 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.424 . . . . 75.4 111.349 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.41 -47.98 83.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 75.21 110.723 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.0 tp -76.78 -11.47 59.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 72.14 111.321 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.2 mm -99.74 -73.82 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 111.646 0.239 . . . . 72.44 111.646 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -103.07 9.15 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.891 0.33 . . . . 73.21 111.891 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.788 0.328 . . . . 73.44 111.561 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.855 0.36 . . . . 73.32 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -144.63 163.4 34.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.701 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -155.39 146.86 22.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.31 -0.404 . . . . 75.12 110.979 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -104.17 116.33 32.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.074 -0.512 . . . . 55.41 110.443 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -131.46 178.98 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.228 -0.442 . . . . 74.2 111.328 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.62 100.91 8.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 74.34 111.017 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.4 mm -78.16 98.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.03 111.017 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 t0 59.76 44.95 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.961 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.43 19.59 71.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.827 -0.701 . . . . 73.23 112.648 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -123.19 97.74 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 73.33 110.842 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.6 m -58.58 120.16 8.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 73.4 110.881 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.8 m -150.95 146.35 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 75.22 110.839 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.55 153.47 31.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 65.45 110.857 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.0 mt -133.75 86.85 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.5 110.644 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.16 96.94 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 74.05 111.052 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.3 mm -80.59 108.23 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 62.51 110.907 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.16 119.63 32.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.716 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -107.36 100.05 9.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.52 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.7 p -81.26 -174.44 4.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.33 111.067 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 11.7 mmt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.762 0.315 . . . . 72.24 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -37.81 77.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 75.45 110.841 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -72.5 -24.65 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 71.03 110.767 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -78.16 -43.31 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 74.55 110.858 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -78.42 -48.45 15.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 74.34 111.058 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.4 mtt -55.07 -52.79 62.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.357 -0.383 . . . . 71.34 110.918 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -57.99 -22.61 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 74.02 111.253 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.7 p -102.23 -6.7 22.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.354 -0.384 . . . . 61.51 111.512 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.21 142.73 17.63 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.542 -0.837 . . . . 73.55 112.779 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -99.72 -6.8 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.592 0.234 . . . . 71.55 111.237 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.71 142.53 7.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.793 -0.717 . . . . 73.03 112.435 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -115.52 149.16 38.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 65.45 110.982 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.47 117.16 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.886 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.1 m -86.98 117.74 25.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 75.43 110.787 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -107.24 114.44 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.2 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.422 ' CE1' ' HA2' ' A' ' 115' ' ' GLY . 0.3 OUTLIER -132.32 141.28 48.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.533 179.546 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.71 125.54 37.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 64.25 111.182 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.1 pt -56.53 -31.7 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.12 110.943 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.7 -25.61 59.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 73.01 110.955 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -109.75 106.84 16.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.265 -0.425 . . . . 74.31 110.931 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 m -69.13 -27.52 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.44 110.936 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -55.0 -35.32 64.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 74.34 111.0 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -64.29 -51.31 64.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 62.54 110.771 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.411 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 31.3 t80 -55.69 -29.76 59.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 74.13 110.868 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -75.25 -36.81 61.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.44 110.934 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.21 -32.62 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.967 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.7 mm -61.23 -27.37 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.367 -0.378 . . . . 75.44 110.794 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -74.36 -55.5 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.32 110.728 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -66.79 -29.98 70.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.072 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 10' ' ' GLY . 1.8 m-85 -58.6 -42.69 88.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 73.15 110.891 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.43 ' HD3' ' CE2' ' A' ' 137' ' ' TYR . 0.3 OUTLIER -59.71 -30.44 68.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 74.41 111.012 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -61.79 -27.18 68.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 73.3 111.23 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.14 -39.57 23.07 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.752 0.31 . . . . 74.13 110.833 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.2 mt -57.51 -41.17 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.357 -0.383 . . . . 72.51 111.018 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -56.64 -41.69 77.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.446 -0.343 . . . . 74.12 110.868 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -60.27 -58.77 7.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 72.43 110.91 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -56.36 -64.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 72.24 111.171 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -58.99 -24.41 62.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 72.22 110.941 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 61.19 44.99 9.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 75.03 110.851 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 t -165.43 143.99 6.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 72.43 110.997 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.91 -52.26 8.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 64.21 110.898 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -80.44 84.74 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 65.44 110.933 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.4 m -116.26 154.05 48.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 64.43 111.127 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.43 107.28 2.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.557 2.171 . . . . 72.53 112.23 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.5 mtm -138.64 172.99 12.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 71.33 110.892 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.9 t -150.91 155.57 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 64.01 111.079 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.2 tp -131.91 103.19 6.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 72.35 110.893 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.7 t -103.26 134.0 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 64.1 111.064 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.422 ' HA2' ' CE1' ' A' ' 82' ' ' PHE . . . -93.72 78.57 1.03 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 62.1 112.475 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -59.49 -179.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 74.14 110.849 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.7 mttt 61.15 57.78 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.906 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.44 -1.45 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 65.25 111.406 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -77.78 -60.76 2.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.739 0.304 . . . . 74.34 110.679 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -51.41 160.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.05 111.2 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -109.52 45.18 1.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 72.33 111.053 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.41 76.65 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 64.34 111.113 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -91.13 137.17 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.849 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.0 p -105.0 -30.09 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 74.31 110.689 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 91.7 t -115.07 100.98 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.008 -0.542 . . . . 74.14 110.926 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.61 155.32 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 74.22 110.919 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.3 p -55.13 -27.48 45.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 54.51 111.098 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -58.95 -48.3 82.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.56 -43.9 95.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.93 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.34 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 62.03 111.183 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.06 -31.28 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 73.25 110.888 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.94 -38.27 81.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 71.54 110.958 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.1 tp -79.82 -51.43 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.941 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.83 86.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 70.22 111.165 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -57.72 -40.74 80.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 72.42 110.819 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.1 t -76.55 -31.16 57.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 65.22 110.606 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 3.2 m-30 -71.15 -22.33 62.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 74.12 111.108 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.08 18.51 62.83 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.749 -0.739 . . . . 73.41 112.329 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.0 pt -113.52 157.35 41.62 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.693 0.283 . . . . 74.35 111.443 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.67 156.58 53.33 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.527 2.151 . . . . 71.23 112.375 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -123.07 116.6 23.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 64.21 110.829 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 mp -119.64 154.32 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 61.25 110.999 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -122.57 128.97 51.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 75.13 110.861 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 21.9 p -147.86 177.41 9.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 73.44 111.07 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.73 118.39 11.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 74.11 110.761 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.42 -18.97 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 73.51 111.496 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.06 -58.87 2.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.718 0.294 . . . . 75.5 111.197 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 149' ' ' ARG . 24.7 p -90.98 12.62 19.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 74.21 111.621 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 148' ' ' THR . 1.5 ptp85 28.75 64.9 0.11 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.67 0.388 . . . . 75.32 112.0 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -108.1 101.0 10.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 74.11 110.984 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.27 16.29 72.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.713 -0.756 . . . . 75.12 112.868 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' A' ' 149' ' ' ARG . 91.4 t -58.48 -56.01 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 120.845 0.355 . . . . 75.11 111.097 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 22.8 mt-10 -54.33 -27.44 35.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.886 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.02 -49.86 63.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 74.42 110.912 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.58 -41.32 73.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.216 -0.447 . . . . 71.13 111.165 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -68.15 -50.87 51.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 73.3 110.872 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 153' ' ' GLU . 17.0 m-85 -56.84 -31.14 64.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 75.53 110.848 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 16.4 m -58.27 -39.63 79.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 74.32 110.949 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -43.04 99.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 75.25 110.765 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.8 t -58.0 -34.81 49.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.272 -0.422 . . . . 73.11 110.982 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -72.07 -37.58 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 75.2 110.733 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.32 -44.17 65.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.847 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 53.2 mt -59.94 -47.39 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 116.094 -0.503 . . . . 75.41 111.124 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -54.21 -34.65 61.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 74.12 111.116 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -55.28 -33.81 63.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.364 -0.38 . . . . 71.31 111.057 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.168 -0.92 . . . . 70.51 110.919 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.763 0.316 . . . . 72.5 111.18 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.03 149.67 23.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 75.14 110.892 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -107.0 109.25 21.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 72.24 110.857 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -99.15 134.95 41.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.942 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -109.05 99.61 8.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 75.25 110.781 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 mt -97.78 127.16 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.26 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.442 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 87.2 t -109.91 102.12 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.035 -0.53 . . . . 73.04 110.721 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.83 149.63 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 72.25 111.318 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -144.99 177.24 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 74.33 110.985 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.52 -172.72 22.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.578 -0.82 . . . . 62.52 112.536 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.36 157.51 35.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 75.42 111.075 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.49 -24.42 17.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.848 -0.691 . . . . 44.31 112.739 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.17 83.66 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 74.42 112.682 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.0 m -139.27 15.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.677 0.275 . . . . 73.22 111.593 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 48.95 30.7 9.58 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.912 -0.661 . . . . 75.14 112.889 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.42 -44.21 68.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 74.32 110.822 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -22.44 64.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 73.01 111.022 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.21 -21.67 56.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 65.33 111.501 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.7 OUTLIER -78.75 -29.45 45.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.493 -0.321 . . . . 71.1 111.258 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.422 HG23 ' CD1' ' A' ' 40' ' ' TYR . 0.9 OUTLIER -72.59 -29.07 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.491 -0.322 . . . . 63.1 110.82 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.03 -41.04 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.399 -0.364 . . . . 72.14 110.381 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -58.0 -48.62 79.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 63.2 110.598 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.54 -56.75 15.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.406 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.5 mm -53.56 -62.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 75.23 110.87 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.4 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 9.4 pt20 -116.15 -112.34 0.34 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.956 -0.565 . . . . 72.43 110.589 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 3.1 m-20 . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.936 0.398 . . . . 71.5 110.575 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.422 ' CD1' HG23 ' A' ' 20' ' ' THR . 12.8 m-85 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.839 0.352 . . . . 73.21 111.114 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -127.19 137.31 52.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 74.31 110.71 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.41 142.02 51.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.55 111.0 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -107.82 118.21 36.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 75.03 110.646 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -141.82 -178.44 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 75.43 111.278 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.0 t -122.93 100.75 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 75.42 111.033 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.6 mm -83.75 102.78 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.879 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t0 63.16 51.83 2.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.997 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.11 24.6 70.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 63.05 112.634 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -131.98 103.73 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 71.44 110.858 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.2 m -59.25 120.54 9.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 71.32 110.793 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 66.8 m -142.36 146.87 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.12 110.942 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.81 143.37 29.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 73.22 110.923 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.1 mt -119.68 97.24 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 73.54 110.943 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.53 95.2 9.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 63.02 110.797 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.6 mm -88.86 111.86 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 64.4 111.173 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -105.97 114.95 29.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 74.15 110.74 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -106.41 101.43 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.35 110.771 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.3 p -75.51 -173.77 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 63.23 110.877 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 74.52 111.166 -179.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.766 0.317 . . . . 73.45 110.838 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -37.99 79.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 74.15 110.699 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.0 -28.28 65.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 74.51 110.348 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -76.02 -45.33 34.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.978 -0.555 . . . . 73.31 111.104 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -75.54 -48.98 20.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 63.3 111.064 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.6 mtt -54.39 -53.29 56.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.999 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.4 -21.76 51.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 75.3 111.184 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.8 p -102.76 -3.66 26.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.378 . . . . 74.42 111.585 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.23 129.04 9.54 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.547 -0.835 . . . . 73.43 112.688 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.67 -26.73 66.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.723 0.297 . . . . 73.42 110.847 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.22 -173.96 22.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.821 -0.704 . . . . 75.42 112.341 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.442 ' CD1' ' HB ' ' A' ' 7' ' ' VAL . 84.0 m-85 -146.44 134.83 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 74.43 111.123 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.95 122.3 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 71.45 110.642 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 61.4 m -97.04 109.04 21.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.984 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.4 t -102.41 110.27 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 74.31 111.006 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.417 ' CD1' HD13 ' A' ' 113' ' ' LEU . 10.8 p90 -123.03 141.3 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 71.24 110.71 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.2 123.63 31.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 61.22 110.927 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.5 pt -58.91 -29.49 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 62.25 111.151 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.35 -29.27 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.524 . . . . 63.43 110.855 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -100.03 117.41 34.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.85 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -71.09 -38.76 72.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 73.15 110.829 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.14 -36.54 77.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.886 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.0 t -59.14 -31.99 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 53.13 110.799 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -74.02 -30.31 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 75.31 110.746 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.88 -29.95 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.977 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.422 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 6.1 m-20 -70.02 -32.46 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 74.44 110.885 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.5 mm -61.31 -27.48 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 74.53 110.845 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -75.45 -55.3 5.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 72.23 110.944 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -30.82 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 71.2 111.023 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.4 m-85 -62.21 -47.2 85.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 72.22 110.846 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -43.26 85.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 74.22 111.032 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.16 -28.43 64.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.253 -0.431 . . . . 72.52 111.203 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.19 -41.74 48.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.464 -0.335 . . . . 72.51 110.885 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.8 mt -56.94 -56.96 11.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 73.51 110.884 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -26.5 64.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.01 110.78 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -57.14 4.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 75.53 110.99 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.3 p -68.93 -36.28 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.42 -0.354 . . . . 75.14 111.135 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.87 -20.69 57.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 70.43 111.09 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.03 35.98 12.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.871 0.367 . . . . 73.3 110.683 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.4 p -138.47 -176.56 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 72.31 110.862 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.68 -71.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 70.54 110.778 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.65 82.38 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 64.42 110.765 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.2 m -98.42 152.9 38.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.25 111.315 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.69 108.02 2.16 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.695 2.263 . . . . 72.35 112.352 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.9 ptp -154.29 167.94 28.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 70.34 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.8 t -143.78 152.04 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.186 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.417 HD13 ' CD1' ' A' ' 82' ' ' PHE . 9.4 tp -115.06 111.51 21.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 75.25 110.746 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.3 t -103.02 150.18 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 72.54 111.199 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.41 78.89 0.24 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 72.22 112.508 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -59.31 159.55 7.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.314 . . . . 72.02 110.469 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.58 48.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 73.41 110.765 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.3 t -110.0 36.19 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 70.55 110.988 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -119.94 -46.2 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.42 . . . . 64.12 110.967 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -72.85 161.25 30.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.3 110.861 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -90.91 57.12 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 72.31 111.075 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -141.84 69.52 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.32 111.055 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.17 110.2 22.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.79 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.3 p -84.31 -49.63 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.12 110.614 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 30.0 t -88.08 107.61 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.03 -0.532 . . . . 74.32 110.817 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -54.58 160.65 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 74.02 111.119 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.9 m -60.69 -41.5 95.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 71.22 111.059 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -54.39 -46.65 73.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 72.12 110.963 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -60.29 -41.18 92.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.916 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.55 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 63.53 111.088 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -36.44 73.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.892 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -57.22 -47.7 80.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.969 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -51.55 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.959 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.15 -43.72 87.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 75.52 111.257 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -61.04 -40.6 94.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 75.22 110.935 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.7 t -66.34 -25.65 66.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 70.02 110.984 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -84.58 -24.02 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 72.41 111.222 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.79 15.53 63.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.732 . . . . 75.24 112.589 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 13.4 pt -110.76 153.45 43.67 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 64.24 111.312 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.59 154.28 68.61 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.561 2.174 . . . . 74.12 112.253 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -124.59 117.77 25.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 74.44 110.761 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.5 mp -119.43 147.63 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 71.11 111.102 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -107.69 137.97 44.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 64.41 110.854 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 20.5 p -152.39 179.6 8.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 72.43 111.327 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.07 119.13 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.784 -0.644 . . . . 74.44 110.263 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.6 -40.82 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 72.42 111.497 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -64.12 -66.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.389 -0.369 . . . . 74.15 111.185 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 26.9 p -70.38 -23.52 62.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.384 . . . . 73.54 111.443 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 66.31 67.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 71.42 110.672 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -116.52 125.1 51.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 71.23 111.096 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 54.33 25.83 34.84 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.89 -0.672 . . . . 73.23 112.727 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 31.4 m -61.75 -38.38 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 74.4 111.194 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.435 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.7 mt-10 -73.81 -33.3 64.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 74.25 110.93 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -46.56 88.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 75.54 110.93 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -66.49 -41.7 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 74.44 111.187 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 19.5 m-85 -65.18 -49.68 68.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 74.04 111.111 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.1 m-85 -55.09 -34.34 63.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 74.22 111.107 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.3 m -53.6 -39.0 64.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.332 -0.395 . . . . 62.54 111.161 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -43.06 95.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.15 111.024 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.0 -45.19 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 75.33 111.017 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -62.31 -43.99 97.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.023 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -58.44 -41.69 85.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 72.41 110.907 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 92.2 mt -69.58 -47.23 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 72.3 111.112 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -49.56 74.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.25 111.018 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -20.63 61.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 70.52 111.186 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.194 -0.908 . . . . 75.44 110.82 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.949 0.404 . . . . 74.04 111.288 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.41 145.02 19.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.928 -0.578 . . . . 74.33 110.859 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -109.47 126.6 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 73.13 110.78 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.428 ' CE2' HG22 ' A' ' 160' ' ' VAL . 13.0 m-85 -101.72 109.46 21.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 74.21 111.09 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -82.99 95.77 8.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.786 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.5 mt -97.34 111.0 23.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 64.25 111.067 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.7 t -85.48 105.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 72.4 111.07 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.9 t -88.43 138.97 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 71.44 111.0 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.6 m -141.17 149.54 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 74.42 111.062 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.58 -161.36 12.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.637 -0.792 . . . . 63.03 112.558 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.87 29.44 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 73.15 111.12 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.8 -64.19 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 73.42 112.496 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.81 44.65 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.717 . . . . 75.23 112.534 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 m -112.34 -30.2 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.695 0.283 . . . . 64.51 111.289 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.98 28.75 3.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 71.33 112.452 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -60.33 -49.53 77.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.675 0.274 . . . . 74.5 111.058 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -71.52 -29.52 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 54.42 110.82 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.7 -50.03 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 64.55 111.096 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.4 mt -57.45 -31.94 66.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 65.42 110.937 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 m -63.57 -58.29 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 61.53 110.995 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.404 HD11 ' CZ ' ' A' ' 40' ' ' TYR . 30.0 mm -54.76 -29.67 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.33 111.171 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -65.6 -49.88 67.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 74.45 110.69 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.44 -6.59 52.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 75.35 111.36 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.7 mm -101.99 -74.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.836 0.351 . . . . 73.32 111.054 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -92.78 -22.51 19.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 73.15 111.26 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.407 -0.36 . . . . 74.3 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.404 ' CZ ' HD11 ' A' ' 21' ' ' ILE . 24.3 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 72.41 110.839 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -125.81 133.79 51.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.873 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -134.46 132.25 39.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 73.3 110.966 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -94.59 121.5 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 71.42 110.84 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 m -143.94 -176.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.309 -0.405 . . . . 74.24 111.303 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.8 p -124.23 121.73 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.33 111.083 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.412 ' CD1' HG11 ' A' ' 160' ' ' VAL . 11.0 mm -103.21 106.54 20.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 74.25 111.173 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t70 59.56 37.87 22.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 75.13 110.817 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.79 20.68 63.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.892 -0.671 . . . . 63.52 112.548 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -126.0 101.17 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 74.04 110.783 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -60.73 126.08 26.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 71.01 111.046 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 m -157.77 150.86 23.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 75.23 110.776 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 tp -78.58 152.14 32.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 75.43 110.769 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.6 mt -124.85 88.15 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.927 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.68 98.0 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 53.52 110.82 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.3 mm -88.9 108.38 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 73.15 111.071 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -100.77 125.06 47.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.788 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -115.36 103.55 10.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 74.21 110.72 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.1 p -75.49 169.61 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 74.4 110.821 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.22 111.159 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 75.04 111.011 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -59.13 -37.25 76.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 72.04 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -71.54 -29.24 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.738 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -67.06 -41.18 86.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 74.24 110.767 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -69.88 -34.08 73.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 73.2 111.2 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.8 mtt -62.72 -48.55 78.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 73.2 111.054 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -70.13 -19.42 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.44 111.372 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 p -102.62 -5.81 23.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.579 -0.282 . . . . 74.5 111.29 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.35 117.95 6.03 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.625 -0.798 . . . . 61.04 112.64 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.36 -27.48 69.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.718 0.294 . . . . 75.23 110.886 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.92 169.78 28.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 73.1 112.36 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.428 ' CE1' HG23 ' A' ' 100' ' ' ILE . 74.7 m-85 -131.44 145.27 51.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 74.44 110.923 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.35 121.33 40.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 73.21 110.902 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 m -96.54 100.01 11.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 72.3 110.827 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 p -106.9 135.78 44.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 71.2 111.124 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -149.55 167.52 26.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 75.34 110.887 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.26 124.35 49.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 73.45 111.104 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.1 pt -61.91 -31.61 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 75.31 110.945 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -66.04 -29.33 69.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 74.14 110.941 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -108.04 107.44 18.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 72.34 110.887 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.8 m -63.04 -24.32 67.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 73.33 111.021 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -40.61 96.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.428 -0.351 . . . . 74.02 110.733 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.6 p -59.62 -49.87 76.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 61.2 110.697 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -58.15 -30.55 66.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 73.4 110.586 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.95 -29.28 39.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 72.24 110.875 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.439 ' HA ' ' NE2' ' A' ' 95' ' ' GLN . 91.6 m-20 -76.31 -45.72 31.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 74.24 110.976 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 mm -53.08 -27.06 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 120.957 0.408 . . . . 74.03 110.623 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.58 -52.88 55.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 75.44 110.709 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.518 ' HG2' ' N ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -68.65 -29.91 68.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 74.52 110.818 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.518 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 12.0 m-85 -63.48 -42.14 98.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 73.53 110.715 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -31.49 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.688 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.28 -37.98 89.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.047 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -39.15 82.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 74.31 110.92 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.428 HG23 ' CE1' ' A' ' 78' ' ' PHE . 72.3 mt -60.35 -42.4 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 64.04 111.091 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -35.96 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 75.32 111.085 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -58.98 3.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 74.53 111.116 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.8 t -59.1 -59.98 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 74.44 111.116 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -60.42 -25.12 65.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.862 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.1 t0 62.03 41.49 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 73.21 110.737 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -158.49 128.31 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 72.04 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.58 -24.79 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 73.42 111.137 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -110.61 95.67 5.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 75.14 111.176 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.8 m -121.85 153.44 60.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.869 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.63 102.5 1.17 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.533 2.156 . . . . 70.43 112.36 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 10.5 ptp -148.2 174.04 12.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 73.44 110.815 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.8 t -146.88 156.07 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 64.04 111.262 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.4 tp -117.61 109.03 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 74.53 110.881 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 32.9 t -103.9 144.6 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 72.3 111.142 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.17 83.11 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 75.43 112.505 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -60.02 170.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 72.52 110.918 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.1 mttt 59.65 63.37 1.52 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 72.23 110.882 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 16.4 t -104.5 -35.97 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 72.55 110.992 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -68.98 -23.61 64.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 74.34 111.153 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 40.8 mt -53.65 -179.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.503 -0.317 . . . . 75.22 111.025 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -131.11 28.36 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.376 . . . . 54.43 111.323 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.26 66.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.339 -0.391 . . . . 74.31 111.148 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -92.16 134.05 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.34 111.052 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.6 p -103.53 -32.64 9.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.639 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.9 t -101.19 95.88 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.928 -0.578 . . . . 75.1 110.781 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.58 158.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 72.55 111.169 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.3 t -54.8 -48.72 72.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 65.14 111.466 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -34.61 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 74.01 111.157 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -67.14 -32.15 73.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 71.34 110.801 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.06 -30.03 39.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 75.05 111.2 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.98 -30.78 62.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 75.13 110.983 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.14 -43.55 92.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 70.13 111.017 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.64 -48.39 48.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.809 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.28 -45.6 93.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 71.05 111.073 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -55.68 -42.45 75.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.91 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.8 t -72.17 -31.21 65.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.623 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -73.04 -23.7 60.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 72.11 111.021 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.99 16.13 63.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.67 -0.776 . . . . 75.22 112.614 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 3.2 pt -119.56 157.32 52.14 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 120.723 0.297 . . . . 74.43 111.341 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.3 167.3 24.25 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.499 2.132 . . . . 74.34 112.2 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -134.28 117.05 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.573 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.8 mp -117.4 137.81 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 72.12 111.329 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -103.98 131.87 50.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 71.11 110.511 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 22.0 p -148.31 173.44 13.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.947 0.403 . . . . 72.35 111.436 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.83 135.32 34.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.878 -0.601 . . . . 72.43 110.791 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.05 -11.28 59.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 75.02 111.825 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -93.89 -48.54 6.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.358 . . . . 71.34 111.047 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 20.5 p -95.11 0.83 54.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 74.41 111.616 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.406 ' HA ' ' CG2' ' A' ' 152' ' ' VAL . 10.3 ptm180 42.71 54.38 4.6 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.896 0.379 . . . . 65.31 111.523 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.94 121.15 41.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 73.53 111.19 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 63.42 13.97 52.29 Favored Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.843 -0.694 . . . . 53.04 113.173 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 149' ' ' ARG . 85.1 t -57.53 -54.83 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 116.963 0.382 . . . . 75.13 110.906 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.416 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 1.7 mt-10 -61.16 -33.03 72.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 71.05 110.492 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -30.1 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 71.43 110.831 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -72.32 -50.42 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.02 111.201 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -63.63 -47.52 81.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 73.35 111.152 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.428 ' HA ' ' CG1' ' A' ' 160' ' ' VAL . 14.0 m-85 -52.16 -27.25 13.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.575 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 18.5 m -68.34 -37.85 80.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.351 . . . . 73.32 111.155 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 17.2 tp -68.14 -51.6 44.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 75.13 110.708 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.428 ' CG1' ' HA ' ' A' ' 157' ' ' TYR . 2.2 p -64.64 -34.47 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.177 -0.465 . . . . 65.24 111.079 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -69.41 -34.06 73.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.902 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.6 -35.95 60.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 72.41 111.047 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 36.2 mt -64.7 -33.13 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 74.21 111.282 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -53.18 -46.77 69.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 75.53 111.046 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -65.11 -35.63 81.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 74.01 110.9 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.322 -0.847 . . . . 74.33 110.974 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.806 0.336 . . . . 74.12 111.185 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.42 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -95.89 149.77 21.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.55 110.758 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -101.87 128.25 48.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 73.31 110.747 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.42 ' CE2' ' CG2' ' A' ' 2' ' ' THR . 36.0 m-85 -119.51 104.73 10.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 64.43 111.032 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 95.86 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 75.53 110.618 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.5 mt -93.67 113.48 25.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.04 111.155 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 65.3 t -94.75 116.95 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.42 111.008 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.1 t -91.18 139.7 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 75.34 111.08 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.5 m -142.46 160.97 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 75.2 111.052 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.82 -100.07 0.13 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.704 -0.76 . . . . 71.12 112.589 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.11 91.92 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 73.2 111.052 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.14 -80.13 0.2 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 70.52 112.338 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.97 -78.98 0.81 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.833 -0.699 . . . . 50.11 112.484 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.7 m 40.79 31.59 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 112.003 0.372 . . . . 73.25 112.003 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.2 32.92 29.76 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.872 -0.68 . . . . 74.12 112.706 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -68.31 -38.76 81.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 75.21 111.024 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.0 p -81.12 -36.27 30.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 70.0 111.044 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.94 -50.43 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 71.25 111.351 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.3 mt -56.82 -30.98 64.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.351 -0.386 . . . . 74.42 110.978 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.4 m -72.06 -43.03 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 74.21 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.6 mm -67.67 -42.69 86.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 74.12 111.138 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -59.02 -41.31 87.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 74.24 110.843 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.8 tp -76.77 -10.33 59.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 75.34 111.334 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 mm -111.64 -74.08 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.694 0.283 . . . . 74.12 111.508 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -82.36 -19.74 38.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.405 -0.361 . . . . 75.33 111.603 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.871 0.367 . . . . 74.21 110.913 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.842 0.353 . . . . 74.23 110.93 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -134.39 159.68 40.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.846 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -155.88 147.04 22.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.14 110.937 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -111.28 120.14 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 70.34 110.826 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 m -139.41 -178.88 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.35 111.075 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -124.29 100.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 71.3 111.041 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.445 HD12 HG21 ' A' ' 46' ' ' ILE . 18.6 mt -115.37 128.17 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 72.31 110.941 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 68.31 31.89 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.915 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.21 31.22 78.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 64.45 112.631 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.52 112.42 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 74.11 110.835 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -62.3 125.09 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.801 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.5 m -146.63 151.17 36.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 75.42 110.892 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.14 145.17 27.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 74.0 110.825 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.6 95.66 5.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.942 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.98 94.96 10.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.885 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.0 mm -91.35 108.39 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 75.14 111.101 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.17 119.61 39.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 52.31 110.717 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.45 105.0 16.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 65.23 110.848 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.9 p -79.03 -173.91 3.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 73.51 110.839 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 121.099 0.476 . . . . 54.32 111.376 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.79 0.329 . . . . 72.55 110.965 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -34.54 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.998 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -73.0 -30.24 63.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 62.0 110.763 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -54.94 7.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 74.45 110.897 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -63.7 -37.68 88.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 74.44 111.034 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.4 mtt -69.09 -38.82 79.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 73.01 110.982 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -72.67 -13.7 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 74.22 111.325 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 73.9 p -101.84 -15.99 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.544 -0.298 . . . . 75.12 111.375 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.11 124.83 6.82 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.631 -0.795 . . . . 61.11 112.741 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.51 -19.21 59.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.687 0.279 . . . . 65.35 110.958 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.63 150.41 22.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.858 -0.687 . . . . 71.22 112.269 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.44 ' CE2' HG22 ' A' ' 100' ' ' ILE . 29.1 m-85 -118.91 135.16 54.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 71.5 111.095 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.91 120.23 37.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.857 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.9 m -96.84 103.76 15.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 74.53 110.93 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -101.94 108.29 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 72.14 111.189 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.22 153.42 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.714 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.41 123.67 39.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.235 -0.439 . . . . 63.43 110.996 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.4 pt -60.59 -21.61 23.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 73.54 111.261 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -85.44 -24.76 27.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 71.25 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.82 99.02 8.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 74.53 110.902 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.9 m -62.96 -26.76 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 71.13 110.92 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -54.45 -43.55 71.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 74.24 111.012 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 t -55.38 -46.6 76.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 75.31 111.001 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.15 -27.03 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 73.43 111.143 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.66 -40.91 63.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 72.43 110.931 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.22 -33.59 59.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.11 111.023 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.8 mm -50.57 -40.43 19.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.394 -0.366 . . . . 74.01 110.811 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -76.62 -40.52 49.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 73.22 110.363 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -51.2 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 73.41 110.893 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -59.58 -32.28 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 71.12 111.004 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -44.85 93.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 73.33 110.967 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.0 -35.19 68.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.31 111.008 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -71.94 -36.53 69.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 72.14 110.767 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.44 HG22 ' CE2' ' A' ' 78' ' ' PHE . 88.0 mt -58.88 -46.06 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 74.23 111.14 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -44.56 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 65.5 110.94 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -68.38 -40.46 81.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 75.53 111.428 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.5 t -50.9 -49.88 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 75.33 111.418 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.89 7.2 32.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.443 -0.344 . . . . 75.24 111.416 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t70 46.94 63.87 1.77 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.818 0.342 . . . . 73.23 111.281 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.75 146.09 0.43 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.42 110.842 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -77.53 -51.64 10.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 62.43 110.916 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -77.63 79.63 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.23 111.02 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.1 m -107.54 149.76 39.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 74.34 111.029 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.59 108.97 1.96 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.563 2.176 . . . . 73.21 112.14 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 9.8 ptp -156.71 173.56 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 72.22 110.994 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.6 t -147.82 156.91 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 73.33 111.055 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.9 tp -121.4 102.92 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 75.01 110.798 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 18.1 t -96.99 152.73 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.41 111.125 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.79 90.62 0.47 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.729 . . . . 73.13 112.425 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -68.91 173.58 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 74.54 110.837 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.4 mttt 62.35 69.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.915 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.6 t -109.14 -25.11 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.45 111.14 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -53.72 -66.94 0.3 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.41 -0.359 . . . . 75.51 110.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.446 HD22 ' N ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -50.0 173.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 73.55 111.272 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.27 40.86 3.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 65.5 111.184 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -121.77 61.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.24 111.057 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.22 98.64 9.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.108 -0.496 . . . . 73.23 111.164 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.5 p -69.71 -28.12 65.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.661 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.6 t -105.56 110.89 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 116.151 -0.477 . . . . 74.03 110.832 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.91 160.69 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 72.51 110.977 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.2 p -66.44 -33.19 75.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.754 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -57.92 -45.4 86.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.766 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -65.68 -42.35 91.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 64.33 110.809 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.05 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 63.21 110.994 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.86 -36.29 81.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 73.23 110.871 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.68 -36.8 77.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.42 110.782 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.2 tp -76.3 -51.19 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 74.42 110.771 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.99 99.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 73.33 111.076 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -62.28 -27.67 69.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 74.52 111.188 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -30.53 60.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 73.15 110.783 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.495 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.0 m-85 -85.41 -10.03 56.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 73.31 111.326 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.63 24.19 76.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.635 -0.793 . . . . 61.11 112.362 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.495 HG12 ' HB2' ' A' ' 137' ' ' TYR . 6.3 pt -113.9 157.3 42.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 74.23 111.524 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.13 147.59 42.99 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.593 2.195 . . . . 73.01 112.138 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -116.88 102.4 9.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 65.25 110.734 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.0 mp -104.46 150.31 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 74.25 111.192 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -119.52 129.85 54.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 74.21 110.869 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 22.2 p -134.89 -177.93 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 73.14 111.118 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.1 p -152.33 118.27 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 70.42 110.649 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.73 -24.61 58.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.37 -0.377 . . . . 63.24 111.35 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -76.08 -52.48 10.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.383 -0.372 . . . . 75.04 110.986 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p -90.64 -16.11 29.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.4 . . . . 73.23 111.488 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? 64.35 70.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 75.43 110.622 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.05 124.49 44.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 74.5 111.061 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 51.93 26.04 17.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.985 -0.626 . . . . 72.31 112.897 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.4 t -58.61 -54.85 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 72.11 111.25 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -65.16 -27.65 68.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 75.13 111.101 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -57.69 -57.4 12.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.358 -0.383 . . . . 70.02 111.067 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.67 -38.88 56.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 73.44 111.364 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -70.43 -49.49 48.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.873 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -57.5 -30.25 64.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 75.51 110.878 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 35.7 m -60.38 -37.45 80.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.852 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.07 -43.67 97.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.824 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 23.3 t -53.77 -40.04 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.136 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -31.23 68.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 75.2 110.775 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.68 -48.17 34.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 75.24 110.776 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.85 -55.61 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.285 -0.416 . . . . 74.54 111.271 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -40.18 74.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 74.32 110.869 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.62 -21.43 66.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 74.5 111.036 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.229 -0.891 . . . . 63.34 110.831 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 121.032 0.444 . . . . 74.43 111.308 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.97 149.73 31.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.717 -0.674 . . . . 64.14 110.81 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -110.1 122.27 47.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 65.34 110.727 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -107.66 128.08 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 74.51 110.937 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.38 92.04 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 72.24 110.905 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -105.92 128.47 53.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 75.05 110.84 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.444 ' CG2' ' CD2' ' A' ' 78' ' ' PHE . 5.4 m -107.25 135.63 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 70.41 111.276 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -109.62 117.65 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.139 -0.482 . . . . 71.44 111.146 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -105.67 174.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.993 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.33 -178.05 40.36 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.566 -0.826 . . . . 73.31 112.655 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.66 25.36 10.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.795 0.331 . . . . 72.43 111.219 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.62 110.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.654 -0.784 . . . . 75.21 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.91 -18.11 57.94 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 74.21 112.762 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.4 m -60.8 -30.73 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 73.43 111.053 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.64 28.07 4.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 73.05 112.532 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -43.1 93.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 74.55 110.981 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -67.29 -32.21 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 62.45 110.904 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.5 -56.75 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 75.12 111.146 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.8 mt -56.16 -39.54 72.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 73.13 111.03 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.1 m -61.19 -61.42 2.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 71.32 110.724 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.4 mm -59.87 -31.09 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 73.34 110.957 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -59.22 -49.53 77.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 54.12 110.918 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.1 tp -70.23 -46.19 64.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.941 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.5 mm -59.62 -62.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 75.33 111.155 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 44.5 mt-30 -104.58 -99.47 0.32 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.445 -0.343 . . . . 74.33 111.063 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 8.2 p30 . . . . . 0 N--CA 1.465 0.297 0 CA-C-O 120.751 0.31 . . . . 73.52 110.694 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.88 0.371 . . . . 63.2 110.883 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -140.41 130.09 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 75.23 110.72 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -119.16 149.56 41.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.25 110.915 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -101.63 118.71 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 75.54 110.691 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.9 m -129.5 -178.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 74.25 111.096 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 t -122.5 101.45 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 75.21 111.185 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.7 mm -82.54 100.97 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 73.33 111.023 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t70 59.35 35.96 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.33 111.031 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.49 -25.34 25.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.655 -0.783 . . . . 63.55 112.581 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.98 115.33 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 62.32 110.916 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.2 m -76.41 122.29 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 73.14 110.876 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.3 m -150.33 146.89 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.859 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.99 146.08 33.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.989 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.9 mt -123.66 90.24 3.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 75.41 110.741 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.05 94.71 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 71.24 111.063 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.6 mm -81.19 112.2 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.55 110.906 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.42 ' C ' ' CD2' ' A' ' 56' ' ' LEU . 3.9 tt -95.67 123.94 39.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 71.13 110.787 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -92.2 121.38 33.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 75.15 110.702 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.418 HG23 ' CZ ' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -95.03 178.88 5.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 74.1 110.796 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.42 111.129 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mtm . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.703 0.287 . . . . 74.31 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -58.19 -24.3 58.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.451 -0.34 . . . . 74.33 111.09 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.98 -37.38 26.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 71.12 111.177 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -62.36 -36.91 83.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.351 -0.386 . . . . 70.21 111.006 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.418 ' CZ ' HG23 ' A' ' 58' ' ' THR . 0.1 OUTLIER -72.71 -36.27 67.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 72.3 110.726 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.1 mtt -68.21 -38.12 81.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 71.11 110.671 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 1.2 mmt180 -70.61 -11.61 61.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.3 111.144 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.6 p -101.71 -15.45 16.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.771 0.32 . . . . 71.04 111.249 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.36 111.92 4.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.599 -0.81 . . . . 74.53 112.75 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.1 -28.62 64.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.825 0.345 . . . . 64.4 110.856 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.16 176.42 21.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.799 -0.715 . . . . 63.44 112.324 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.444 ' CD2' ' CG2' ' A' ' 7' ' ' VAL . 77.0 m-85 -140.19 137.34 34.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 75.11 110.977 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.33 123.45 46.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 74.34 110.732 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.2 m -96.43 105.87 18.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 73.11 111.027 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -97.07 106.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.037 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -122.93 146.8 47.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 70.35 110.688 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 123.53 35.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 74.45 111.199 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -62.21 -24.28 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 72.2 111.059 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -81.76 -16.56 50.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 72.31 111.152 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -118.58 100.22 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.791 0.329 . . . . 74.15 110.813 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.85 -31.92 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -53.52 -39.24 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 72.35 110.847 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.6 p -60.18 -43.87 95.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 74.33 110.506 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -59.09 -27.67 65.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 62.24 110.591 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.01 -34.76 66.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 73.22 110.714 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.424 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 11.1 m-20 -76.23 -31.36 58.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.989 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.9 mm -59.72 -31.7 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.445 -0.343 . . . . 75.43 110.714 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -70.91 -55.36 8.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 75.14 110.971 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -67.38 -28.75 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 74.33 111.037 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 3.2 m-85 -68.23 -49.7 58.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.388 -0.369 . . . . 65.23 110.695 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -52.32 -38.21 57.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 75.01 111.127 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.27 -36.29 77.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 62.32 110.906 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -36.81 79.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 75.23 110.898 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.415 HG22 ' CE1' ' A' ' 78' ' ' PHE . 20.0 mt -70.22 -40.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.33 111.081 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -55.77 -40.01 72.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 74.55 111.108 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -65.25 -55.66 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 74.43 110.747 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.401 ' CG1' ' HG2' ' A' ' 73' ' ' ARG . 51.4 t -55.94 -52.86 44.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 75.32 111.088 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.08 -18.49 61.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 72.31 110.851 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.2 t0 62.6 31.88 16.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.947 0.403 . . . . 74.32 110.745 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 p -158.42 135.5 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.982 -0.554 . . . . 73.02 110.765 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.8 -24.13 62.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 71.33 111.045 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -102.14 89.87 3.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 64.05 110.945 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.0 m -118.41 151.43 49.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 74.34 111.092 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.03 104.7 1.24 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.595 2.197 . . . . 72.41 112.278 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 12.1 ptp -151.67 172.29 16.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.887 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.9 t -145.81 154.57 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 70.24 111.187 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.4 tp -112.15 108.83 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 72.21 110.764 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 14.1 t -94.71 126.08 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 71.43 111.221 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.64 72.59 0.77 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.819 -0.705 . . . . 70.44 112.495 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.24 173.01 0.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 72.14 110.923 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.9 mttt 59.74 46.74 11.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.924 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.5 t -83.27 -29.0 28.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.983 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -76.42 -13.9 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 70.23 111.363 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.59 161.37 0.72 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.767 0.318 . . . . 70.41 111.009 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -107.01 27.46 8.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 73.03 111.446 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.81 63.3 1.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 41.03 111.139 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.6 mmm-85 -63.34 91.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 75.1 110.997 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.8 p -79.52 -30.65 41.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 74.32 110.865 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.62 100.09 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.255 -0.429 . . . . 65.53 110.907 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.21 159.97 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 71.21 110.909 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -29.43 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 71.44 110.975 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.4 tpt85 -60.0 -47.78 84.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.913 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -65.04 -42.62 94.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 74.1 111.096 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.431 ' HB2' ' CE1' ' A' ' 141' ' ' TYR . . . -68.49 -37.33 80.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.37 . . . . 73.44 111.101 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -31.31 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.839 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.21 -35.92 82.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.797 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.6 tp -75.83 -51.47 12.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 73.21 110.931 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.02 96.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 65.21 111.303 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -57.18 -34.72 68.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 73.32 111.14 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.6 t -73.16 -30.89 63.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 73.23 110.787 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -84.91 -18.97 33.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 73.34 111.11 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.48 16.84 65.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.671 -0.776 . . . . 72.01 112.548 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 25.5 pt -107.77 152.91 41.75 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 75.42 111.324 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.32 167.41 22.29 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.556 2.171 . . . . 74.32 112.388 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 130' ' ' ALA . 50.9 t80 -143.82 121.55 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.05 110.825 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.85 148.62 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.31 111.02 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -111.35 134.47 52.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.575 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.2 p -145.15 -177.55 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.976 0.417 . . . . 71.44 111.267 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.6 p -149.42 124.57 10.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 72.12 110.633 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.83 -33.5 68.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 52.13 111.355 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -76.14 -52.42 10.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 75.31 111.102 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -24.36 40.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.31 -0.405 . . . . 62.43 111.248 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 64.88 58.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 74.31 110.709 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -111.74 126.11 54.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.523 . . . . 73.24 111.017 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 52.57 23.71 15.06 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.9 -0.667 . . . . 63.14 112.994 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.2 t -57.73 -54.91 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.884 0.373 . . . . 74.42 111.035 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.43 -25.44 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 71.44 110.948 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -56.39 22.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.417 . . . . 72.12 110.961 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.98 -38.45 70.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 71.51 111.153 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -66.69 -50.29 63.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 73.53 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -58.25 -31.34 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 75.11 111.006 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 77.4 m -58.31 -36.63 73.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 73.42 111.016 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -46.87 84.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 13.7 t -55.48 -46.21 78.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.104 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -35.7 75.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 64.03 110.795 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.24 -53.53 29.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.963 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 79.7 mt -58.45 -38.29 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.168 -0.469 . . . . 70.44 111.265 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -56.75 -42.11 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 74.42 110.908 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -64.28 -39.21 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 70.34 110.816 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.183 -0.913 . . . . 74.44 110.797 179.912 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 tpp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.003 0.43 . . . . 71.23 111.235 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.423 HG21 ' CE2' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -119.29 145.47 46.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.77 -0.65 . . . . 75.32 110.605 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -95.86 120.31 35.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.82 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.423 ' CE2' HG21 ' A' ' 2' ' ' THR . 54.5 m-85 -111.21 103.12 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 73.13 110.986 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 94.26 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 75.01 110.618 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.6 mt -88.06 101.72 14.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.083 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.1 t -87.51 108.5 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.11 110.893 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -89.39 145.43 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 70.23 111.21 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.3 m -129.51 157.36 42.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 73.13 110.965 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.49 154.31 19.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.574 -0.822 . . . . 71.4 112.648 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.85 -18.72 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.733 0.301 . . . . 74.35 111.438 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.431 ' O ' ' PB ' ' A' ' 219' ' ' GNP . . . 144.0 -58.12 0.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.829 -0.701 . . . . 73.2 112.343 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.85 26.08 8.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 75.34 112.428 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -77.74 -19.37 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.685 0.279 . . . . 72.11 111.524 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.75 13.76 11.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 55.52 112.45 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -58.81 -52.57 65.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.896 0.379 . . . . 71.55 110.716 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -72.77 -25.43 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 53.35 110.963 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.22 -38.53 78.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.382 -0.372 . . . . 63.22 111.13 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.91 -36.9 72.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 72.03 110.893 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.7 m -68.11 -55.4 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 74.04 110.825 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.7 mm -55.16 -31.24 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 74.23 110.927 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -74.66 -44.98 47.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 71.1 110.791 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -11.32 60.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.996 -0.547 . . . . 74.45 111.17 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.1 mm -111.03 -71.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 75.54 111.317 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.411 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 3.2 mt-30 -84.48 -25.63 28.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.12 111.373 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 65.11 74.64 0.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.828 0.347 . . . . 71.33 110.784 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.411 ' CD2' ' HB2' ' A' ' 25' ' ' GLN . 13.2 p80 -176.64 168.52 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 74.45 110.987 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' CZ ' " O2'" ' A' ' 219' ' ' GNP . 23.9 t80 -92.42 121.8 34.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 75.12 110.597 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.432 HG13 ' CD2' ' A' ' 32' ' ' TYR . 16.4 m -55.78 111.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.125 0.488 . . . . 73.04 111.447 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -113.6 -20.45 11.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.759 -0.655 . . . . 75.43 111.461 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -166.42 31.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.698 0.285 . . . . 73.35 111.179 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.432 ' CD2' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -78.65 163.24 25.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 71.52 110.983 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -56.06 133.59 74.38 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.996 -0.547 . . . . 74.51 110.95 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -74.34 84.22 1.57 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.554 2.169 . . . . 74.34 112.445 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 264' ' ' HOH . 4.3 t 62.74 130.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 73.21 110.971 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -164.87 166.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 71.34 111.216 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -82.97 0.02 46.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 74.11 111.512 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.23 64.34 0.25 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.896 0.379 . . . . 63.23 110.679 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.5 p -56.06 163.16 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 72.32 111.091 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -124.58 160.7 27.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 71.35 110.811 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.7 ptt85 -146.13 116.73 7.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.405 . . . . 75.43 110.857 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -108.93 148.15 31.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.998 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -101.72 120.36 40.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.601 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.37 -178.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 71.32 111.254 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.1 p -124.97 107.97 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.513 . . . . 73.54 111.089 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.83 101.52 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 73.55 111.139 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.17 44.21 22.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 75.33 111.042 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.17 20.45 64.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 63.51 112.626 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -123.4 93.21 3.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.909 0.385 . . . . 73.22 110.871 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.9 m -59.92 119.99 8.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 73.45 111.033 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.6 m -150.95 153.95 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 71.21 110.777 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.79 147.01 28.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 74.15 111.047 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.2 mt -126.81 94.15 3.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.31 110.725 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.93 91.22 8.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 71.04 111.181 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.417 ' CD1' ' N ' ' A' ' 55' ' ' ILE . 1.7 mp -83.85 113.44 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 71.44 110.632 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.07 122.66 33.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 75.03 110.733 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -104.06 104.3 14.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 74.55 110.736 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 p -85.74 -173.78 4.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 73.54 110.97 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.54 162.78 16.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 74.52 111.261 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.06 86.78 1.1 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.408 -0.901 . . . . 62.21 112.435 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 45.14 70.5 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 74.3 111.643 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -122.93 38.98 4.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 72.54 111.044 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 56.46 87.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.872 -0.603 . . . . 73.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.15 34.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 72.33 110.852 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -27.95 63.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 73.01 111.052 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.18 -40.27 77.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.353 -0.385 . . . . 65.01 111.241 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.3 mmt -79.11 -27.03 42.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 71.11 110.955 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -31.61 62.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 70.41 110.987 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.27 -28.4 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.866 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -74.81 -39.66 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 73.13 110.915 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.59 -53.68 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 74.0 111.075 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.3 mtt -52.04 -43.52 63.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.267 -0.424 . . . . 70.13 110.988 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.413 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 73.0 mtp180 -67.18 -21.2 65.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 73.01 111.0 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.9 p -105.13 -0.97 26.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 72.42 111.494 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.87 129.72 9.85 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.5 -0.857 . . . . 73.02 112.866 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -74.49 -22.3 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 74.24 110.804 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.28 171.31 36.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.987 -0.625 . . . . 70.33 112.245 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -135.25 139.9 44.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 64.54 111.027 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.6 120.63 38.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.833 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.6 m -91.03 112.91 25.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 74.12 110.967 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.3 t -101.01 121.06 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 65.44 111.064 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.65 147.88 52.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.791 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.75 123.68 40.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 64.22 110.937 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.8 pt -61.12 -26.69 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.4 110.963 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.44 -26.13 23.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.966 -0.561 . . . . 73.21 110.964 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -103.4 110.18 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.38 -0.373 . . . . 73.43 110.937 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -71.61 -22.3 61.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 73.41 110.973 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -59.17 -41.04 87.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.857 0.36 . . . . 75.5 110.584 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 56.1 p -59.42 -47.38 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.027 -0.533 . . . . 64.13 110.613 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.425 ' CE2' ' HG2' ' A' ' 129' ' ' GLN . 43.5 t80 -56.72 -23.2 40.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.999 -0.546 . . . . 75.15 110.806 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -79.26 -52.32 8.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 73.31 111.072 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -31.23 68.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 44.31 111.131 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 11.9 mm -61.6 -26.83 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 120.806 0.336 . . . . 75.32 110.737 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -73.55 -55.41 6.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.218 -0.447 . . . . 74.34 110.628 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -66.18 -28.48 68.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 70.14 110.975 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -56.93 -44.23 82.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 72.54 110.934 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -59.8 -39.91 86.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.999 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.94 -32.8 68.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.31 111.035 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -36.1 82.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.417 . . . . 74.4 110.79 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.9 mt -67.63 -48.82 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.987 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -55.38 -29.63 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 74.44 111.018 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -71.24 -58.73 3.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 75.23 110.806 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.413 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 41.0 t -58.1 -58.97 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 74.45 110.94 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -59.85 -23.7 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 73.23 110.805 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.7 t70 62.62 45.96 5.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.268 -0.423 . . . . 70.03 110.757 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.73 141.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.867 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.55 -31.45 68.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 74.42 110.811 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -78.9 97.4 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.35 110.737 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.421 ' CG1' ' HD2' ' A' ' 110' ' ' PRO . 49.6 t -136.59 136.47 21.94 Favored Pre-proline 0 N--CA 1.452 -0.375 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.925 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.421 ' HD2' ' CG1' ' A' ' 109' ' ' VAL . 57.3 Cg_endo -71.72 108.01 2.32 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.834 2.356 . . . . 73.22 112.207 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 13.8 ptp -150.67 169.89 20.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 73.25 110.883 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.9 t -145.25 145.87 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 73.13 111.138 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.96 113.48 26.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 75.34 110.712 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.05 147.61 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 52.01 111.321 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.42 83.63 0.33 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.878 -0.677 . . . . 73.24 112.422 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -64.94 171.06 3.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.824 0.345 . . . . 65.03 111.001 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.56 47.46 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 75.51 110.815 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.56 16.61 13.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 64.15 111.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -110.48 -30.11 7.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.745 0.307 . . . . 75.3 111.017 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.23 162.67 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.437 . . . . 73.52 111.149 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -111.26 26.68 10.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 60.14 111.508 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.21 66.64 1.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 62.03 111.205 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -84.08 140.71 31.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 75.13 111.05 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.1 p -108.38 -43.9 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 75.44 110.783 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 98.4 t -92.83 106.91 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 72.23 110.876 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.77 163.82 23.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.34 110.861 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.3 p -56.97 -29.33 63.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 72.23 111.094 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 32.3 tpt85 -56.0 -53.99 50.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 72.54 110.851 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.425 ' HG2' ' CE2' ' A' ' 90' ' ' PHE . 2.8 tt0 -61.0 -46.6 90.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.061 -0.518 . . . . 75.14 110.931 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.42 ' HB1' ' CZ ' ' A' ' 141' ' ' TYR . . . -59.7 -30.92 69.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 70.41 111.186 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -33.08 62.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 72.11 111.021 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -54.23 -47.28 72.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 70.4 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.5 mt -67.12 -47.47 71.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 75.42 111.145 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.41 ' HA ' HG13 ' A' ' 139' ' ' ILE . . . -64.86 -32.41 74.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.418 . . . . 62.13 111.034 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -33.64 33.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.644 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.6 t -77.74 -33.06 53.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 51.13 110.713 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.477 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.9 m-85 -88.25 -14.41 38.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.037 -0.529 . . . . 64.24 111.147 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.47 21.32 72.85 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.676 -0.773 . . . . 50.54 112.576 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.477 HG12 ' HB2' ' A' ' 137' ' ' TYR . 6.9 pt -110.34 156.63 39.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 75.31 111.577 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -70.65 156.8 60.29 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.53 2.153 . . . . 75.43 112.355 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.42 ' CZ ' ' HB1' ' A' ' 130' ' ' ALA . 24.8 t80 -127.51 117.0 21.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 75.24 110.784 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 mp -121.09 152.59 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.925 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.17 130.24 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.409 . . . . 72.2 110.899 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 30.5 p -142.39 176.06 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.943 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 p -148.14 121.47 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.815 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.443 ' HB2' ' N7 ' ' A' ' 219' ' ' GNP . . . -71.28 -24.26 62.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 71.2 111.515 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -77.06 -57.21 3.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.424 -0.353 . . . . 74.11 111.219 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 40.8 p -83.74 -23.42 31.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 70.12 111.398 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 68.02 64.06 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.99 0.424 . . . . 71.34 110.805 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -113.15 120.27 40.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.029 -0.532 . . . . 73.32 110.957 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 54.75 27.29 42.81 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.855 -0.688 . . . . 72.24 112.739 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.7 t -56.34 -56.09 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 74.14 111.236 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -64.93 -27.48 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.944 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -35.47 71.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 71.15 110.868 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -72.2 -43.71 64.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 73.12 111.094 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -64.24 -49.41 72.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.92 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -52.61 -40.45 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 73.41 111.375 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 7.2 m -54.75 -37.43 65.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.853 0.359 . . . . 74.31 111.005 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.41 -47.08 82.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 75.55 110.699 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 8.1 t -56.35 -34.46 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 55.52 111.002 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -65.86 -48.46 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 73.24 110.907 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.31 -47.25 82.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 73.01 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.431 HG23 HD11 ' A' ' 163' ' ' ILE . 40.7 mt -58.99 -57.42 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.165 -0.471 . . . . 72.32 110.931 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -40.61 27.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.867 -0.606 . . . . 74.51 111.141 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -59.54 -33.87 71.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.824 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.256 -0.878 . . . . 73.41 110.888 179.941 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.818 " H3'" ' O2A' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . 0.475 ' O ' ' N3B' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . 0.402 ' O ' ' HB2' ' A' ' 35' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.797 0.332 . . . . 73.14 111.14 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.1 149.76 24.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.875 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -102.83 107.14 17.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 74.24 110.746 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -97.08 146.19 25.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 63.11 110.961 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.8 100.55 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.729 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.2 mt -97.93 123.73 42.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 74.41 111.178 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.419 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 94.1 t -105.15 102.23 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 116.162 -0.472 . . . . 73.41 110.807 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 t -85.75 132.91 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 71.43 111.199 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 m -109.64 168.85 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 74.32 111.082 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.65 149.93 21.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 73.01 112.529 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.87 10.42 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.635 0.255 . . . . 75.53 111.534 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.56 58.02 2.0 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.615 -0.802 . . . . 70.44 112.687 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.481 ' N ' ' O1G' ' A' ' 219' ' ' GNP . . . 127.38 43.23 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 74.11 112.547 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.3 m -119.06 -6.35 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 111.764 0.283 . . . . 64.12 111.764 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.9 21.14 40.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 75.33 112.553 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -58.39 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 75.3 110.787 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.63 -30.87 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.05 -50.92 52.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 74.22 111.039 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.1 mt -53.64 -43.72 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 74.52 110.942 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.0 m -65.23 -52.37 55.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 73.24 110.74 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.6 -28.99 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.943 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -67.07 -38.39 85.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 74.45 110.894 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.76 -11.74 59.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 72.44 111.469 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.1 mm -114.27 -67.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.784 0.326 . . . . 64.42 111.411 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -80.78 -28.66 36.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.308 -0.405 . . . . 74.22 111.093 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.05 28.1 8.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.275 -0.421 . . . . 73.22 110.987 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -128.78 178.24 6.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.42 . . . . 75.43 110.572 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.52 ' CZ ' " O2'" ' A' ' 219' ' ' GNP . 4.0 t80 -96.66 116.64 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.468 -0.333 . . . . 75.2 110.72 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.4 m -56.61 127.73 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 75.45 111.29 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -150.1 23.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 62.22 111.07 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -173.63 76.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.883 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.501 ' CZ ' ' O ' ' A' ' 252' ' ' HOH . 41.3 p90 -136.7 176.28 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.043 -0.526 . . . . 73.41 110.921 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.55 150.79 76.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.978 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.74 126.76 15.88 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.699 2.266 . . . . 71.23 112.305 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 56.74 91.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 64.14 111.019 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.4 -20.9 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 75.23 111.705 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 60.81 18.42 8.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.369 -0.378 . . . . 74.54 111.222 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -103.28 45.58 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.954 0.407 . . . . 53.11 110.418 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 81.7 p -54.05 -178.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.022 -0.536 . . . . 73.44 110.995 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.81 167.76 21.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.85 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.74 165.18 27.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 74.33 110.822 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tttt -149.27 145.81 27.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.858 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -108.31 119.4 39.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.928 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.5 m -135.08 -178.47 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 71.3 111.079 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.2 101.59 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 72.53 111.101 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.4 mt -115.01 131.48 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 75.23 111.014 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 61.78 32.59 18.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 61.12 110.852 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.7 28.45 71.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.7 -0.762 . . . . 71.23 112.448 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -142.91 112.83 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 73.32 110.857 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -58.83 123.21 15.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.881 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 64.2 m -144.06 145.31 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.906 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.72 149.78 32.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 74.12 110.894 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.3 mt -126.7 82.36 2.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.873 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.11 95.95 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 62.51 110.965 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.2 mm -79.63 108.43 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.959 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -84.23 118.96 24.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.23 111.035 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -109.65 76.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.762 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.418 HG22 ' CD2' ' A' ' 71' ' ' TYR . 17.2 p -75.37 -176.46 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 72.33 111.06 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.72 162.66 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.996 -0.547 . . . . 75.12 111.263 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.01 -6.93 55.39 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.881 -0.676 . . . . 71.22 112.994 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.412 ' NE2' ' CE1' ' A' ' 96' ' ' TYR . 13.7 mt-30 73.14 98.24 0.07 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.883 0.373 . . . . 73.01 110.886 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -158.78 113.85 2.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.053 -0.521 . . . . 75.22 110.785 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.49 29.42 18.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 73.23 110.959 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -138.16 177.27 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 72.52 110.867 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.28 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.965 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.58 -64.42 0.81 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.386 . . . . 71.4 111.332 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -60.04 -27.71 67.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 71.03 110.945 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -67.42 -30.73 70.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 72.42 110.995 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.08 -27.35 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 75.22 110.664 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -72.49 -38.75 68.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 63.13 110.698 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.418 ' CD2' HG22 ' A' ' 58' ' ' THR . 8.1 m-85 -75.89 -45.48 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.916 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.8 mtt -54.36 -50.81 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.417 . . . . 72.25 110.722 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -62.58 -27.62 69.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.966 -0.561 . . . . 74.34 111.043 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.8 p -98.2 18.07 17.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.067 -0.515 . . . . 75.21 111.351 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.86 125.93 6.77 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.428 -0.891 . . . . 63.3 112.617 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.98 -27.72 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.711 0.291 . . . . 75.22 110.829 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.27 -171.12 18.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.797 -0.716 . . . . 71.54 112.373 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.419 ' CD1' ' HB ' ' A' ' 7' ' ' VAL . 98.8 m-85 -147.18 145.08 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 75.13 111.055 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.89 122.79 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 74.03 110.813 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 23.8 m -97.85 119.88 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 75.4 110.862 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.4 t -107.34 105.96 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 73.4 111.121 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.4 ' CD1' ' HA2' ' A' ' 115' ' ' GLY . 0.1 OUTLIER -113.19 156.92 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.693 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.85 125.15 50.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 71.43 111.161 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 pt -61.4 -28.92 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.701 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -83.33 -24.82 31.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 72.31 110.743 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -105.51 102.43 11.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 63.03 110.974 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.5 m -64.07 -29.8 70.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 73.33 110.912 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -56.48 -43.15 79.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.44 111.018 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.2 p -58.95 -47.5 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 70.25 110.797 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -57.04 -29.55 63.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 74.42 110.793 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -79.82 -40.51 28.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 71.23 110.844 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.406 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 1.1 m-20 -69.96 -31.18 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 74.04 110.914 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.3 mm -63.84 -29.56 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.301 -0.409 . . . . 73.44 110.541 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -69.93 -55.46 9.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 73.11 110.441 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -66.06 -28.3 68.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 75.33 110.882 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.412 ' CE1' ' NE2' ' A' ' 61' ' ' GLN . 2.0 m-85 -61.88 -42.18 98.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 74.51 110.923 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.4 ttt85 -57.15 -36.38 70.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 75.3 111.007 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.06 -29.92 67.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.95 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -44.42 80.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.422 . . . . 62.2 110.905 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.411 HG23 ' CD2' ' A' ' 78' ' ' PHE . 12.7 mt -60.29 -52.34 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 64.45 110.917 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -52.33 -25.92 10.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 75.0 111.239 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -73.97 -58.52 3.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 73.32 110.813 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.45 -53.25 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.977 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -65.0 -25.83 68.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 75.12 110.893 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.5 t0 64.57 45.11 3.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.969 0.414 . . . . 73.15 110.778 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -171.61 156.78 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 73.45 110.911 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -84.95 -36.26 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 51.15 110.778 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.47 97.74 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 64.22 110.845 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.401 ' CG1' ' HD2' ' A' ' 110' ' ' PRO . 61.0 t -131.63 136.21 28.12 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.661 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.401 ' HD2' ' CG1' ' A' ' 109' ' ' VAL . 57.3 Cg_endo -72.22 102.62 1.39 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.826 2.351 . . . . 74.33 112.322 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 18.2 ptp -147.05 168.96 20.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 72.52 110.918 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.3 t -143.52 144.48 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.09 -0.505 . . . . 61.53 111.159 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.8 tp -107.31 125.97 51.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 74.33 110.662 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.24 144.57 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 72.44 111.229 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.4 ' HA2' ' CD1' ' A' ' 82' ' ' PHE . . . -108.05 72.42 0.21 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.791 -0.719 . . . . 62.23 112.272 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.41 172.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 74.3 111.129 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.417 ' HD2' ' C2 ' ' A' ' 219' ' ' GNP . 0.0 OUTLIER 68.38 45.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 75.12 111.063 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.6 p -89.84 9.16 28.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 74.41 111.277 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -106.2 -37.1 6.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.8 0.333 . . . . 75.03 110.76 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.524 ' HG ' HN21 ' A' ' 219' ' ' GNP . 26.2 mt -55.62 137.14 49.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.97 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.57 39.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 74.41 111.217 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.48 34.56 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 54.33 111.001 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -54.48 144.73 20.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.405 . . . . 73.43 111.12 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 34.7 p -112.94 -43.37 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 70.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.39 102.66 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 75.1 110.906 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -56.72 162.97 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 75.05 111.057 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.7 m -58.48 -42.56 87.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 53.51 111.018 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -54.81 -48.29 72.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 72.13 110.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -62.19 -35.9 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.985 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.34 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.3 111.204 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.63 -35.37 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 74.32 110.992 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -58.41 -37.11 74.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 74.12 110.957 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.2 tp -74.77 -51.1 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.53 110.87 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.42 98.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.01 111.121 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -59.09 -30.75 68.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 74.44 111.02 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -39.7 64.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 71.33 110.67 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -70.83 -21.45 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 75.35 111.094 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.58 16.93 65.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 71.42 112.524 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.2 pt -112.54 157.2 40.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.672 0.272 . . . . 72.04 111.51 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.35 163.97 34.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.644 2.229 . . . . 73.03 112.295 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -137.87 118.4 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 74.52 110.898 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.2 mp -117.53 154.34 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 74.44 111.035 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.4 130.35 56.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 74.32 110.723 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.1 p -145.05 -174.34 4.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 54.42 111.25 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.1 p -151.99 123.71 7.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.983 -0.553 . . . . 72.02 110.751 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.77 -27.66 63.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.22 111.511 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -79.33 -56.97 3.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.353 -0.385 . . . . 70.12 111.206 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 p -79.69 -22.48 43.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.206 -0.452 . . . . 74.51 111.124 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.99 60.35 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.994 0.426 . . . . 75.51 110.78 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.37 124.32 50.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.918 -0.583 . . . . 62.23 110.798 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 53.72 24.86 27.22 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.763 -0.732 . . . . 72.32 112.764 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 98.0 t -54.37 -56.02 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-O 120.819 0.342 . . . . 74.43 111.245 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.41 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 2.2 mp0 -66.0 -25.96 67.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.791 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -40.12 80.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 52.12 110.94 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -66.83 -49.05 66.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 75.24 111.07 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -61.4 -44.68 96.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.907 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.41 ' CD2' ' O ' ' A' ' 153' ' ' GLU . 16.3 m-85 -56.12 -34.47 66.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 74.23 111.072 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.0 m -61.02 -38.4 85.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 70.14 110.872 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -39.45 68.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 74.22 111.004 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.53 -47.51 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 71.12 111.071 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -60.8 -27.1 67.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.993 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -74.36 -48.01 30.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 71.12 111.015 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 34.3 mt -65.64 -36.91 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.231 -0.44 . . . . 73.43 111.13 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.23 -26.73 68.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 74.55 111.334 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -96.46 -23.24 16.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.532 -0.304 . . . . 74.51 111.362 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.418 -0.801 . . . . 73.35 111.136 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.682 ' O1A' ' N3B' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . 0.501 ' O ' ' CZ ' ' A' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . 0.494 ' O ' ' O3G' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.786 0.327 . . . . 75.41 111.188 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.412 HG21 ' CE2' ' A' ' 4' ' ' TYR . 6.6 t -85.97 149.76 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.948 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.66 130.19 54.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 74.23 110.877 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.412 ' CE2' HG21 ' A' ' 2' ' ' THR . 35.1 m-85 -129.3 124.24 33.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.968 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.51 99.35 12.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.772 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.59 104.78 13.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 73.14 111.144 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.8 t -94.43 102.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 71.43 110.98 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.4 t -93.46 139.29 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 75.25 111.108 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.2 m -121.12 179.67 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 65.5 110.928 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.32 174.01 38.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.59 -0.814 . . . . 73.52 112.561 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.54 21.07 16.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.676 0.274 . . . . 73.34 111.286 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.412 ' O ' ' O1B' ' A' ' 219' ' ' GNP . . . 99.15 -77.4 0.52 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.607 -0.806 . . . . 53.41 112.658 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.22 50.76 3.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.882 -0.675 . . . . 64.32 112.894 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -119.16 -4.86 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.614 0.227 . . . . 72.43 111.614 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.05 25.2 71.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.64 -0.79 . . . . 71.31 112.364 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' CD ' ' O ' ' A' ' 252' ' ' HOH . 0.0 OUTLIER -65.45 -37.97 88.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 75.53 110.99 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.526 ' HB3' ' H1 ' ' A' ' 264' ' ' HOH . 1.2 p -75.53 -30.15 59.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.34 110.861 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.2 -51.21 70.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 63.52 111.184 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.7 mt -58.88 -37.29 76.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 74.4 110.919 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -59.12 -55.89 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 73.51 110.744 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.6 mm -68.88 -28.05 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 72.21 110.969 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.18 -37.62 75.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 65.31 110.945 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.0 tp -76.04 -47.55 24.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.98 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.421 HG22 HD13 ' A' ' 24' ' ' ILE . 18.9 mm -72.14 -65.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 75.0 110.837 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 27' ' ' HIS . 12.7 mt-30 -130.1 93.71 3.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 74.51 110.531 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -62.83 76.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 75.34 111.249 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -128.29 -10.99 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 74.42 111.611 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' CE1' " O2'" ' A' ' 219' ' ' GNP . 6.7 t80 75.46 132.94 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.511 -0.313 . . . . 71.35 110.623 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.42 HG13 ' CD1' ' A' ' 32' ' ' TYR . 25.3 t -55.01 145.09 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.05 0.452 . . . . 74.13 111.182 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.8 t70 176.31 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.73 -0.668 . . . . 60.15 110.515 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -129.28 80.11 1.95 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 75.52 110.975 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.42 ' CD1' HG13 ' A' ' 29' ' ' VAL . 14.0 p90 -139.68 171.69 13.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.82 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.14 137.68 27.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 72.4 110.793 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.49 121.4 7.69 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.498 2.132 . . . . 74.33 112.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 59.59 96.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 74.34 110.843 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 pp -145.89 152.44 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.43 111.122 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -109.7 23.83 13.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.972 -0.558 . . . . 70.12 111.131 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -80.77 58.66 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.398 . . . . 62.24 110.74 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.0 t -55.38 141.47 36.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 73.11 111.082 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -93.37 164.51 13.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 64.41 110.888 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -135.64 112.58 10.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 74.21 110.927 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.15 146.31 40.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.031 0.443 . . . . 74.23 110.914 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -108.37 127.06 53.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.911 -0.586 . . . . 75.43 110.893 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.85 -179.5 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 72.1 111.087 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.1 t -124.19 100.79 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 75.02 111.072 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.6 mm -86.12 99.74 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 73.11 111.05 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 61.42 53.49 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 72.4 110.842 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.23 27.99 73.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 70.5 112.536 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -136.74 106.61 6.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 73.21 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.2 m -61.31 143.46 55.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.935 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -159.72 142.73 14.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 71.23 111.019 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.04 134.8 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 73.43 110.695 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.9 mt -121.68 109.26 14.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 64.14 110.899 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -100.97 97.78 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.834 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.7 mm -85.96 112.28 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 64.32 111.076 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.424 HD23 ' CD2' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -90.24 129.35 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 73.02 110.633 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -108.78 104.79 14.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 74.32 110.627 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.2 p -75.38 -173.71 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 64.25 110.84 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.44 161.42 14.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 61.32 111.077 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.59 -28.93 3.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.785 -0.722 . . . . 74.2 112.495 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -109.7 -65.62 1.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 74.35 110.819 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -61.28 -156.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 73.23 110.531 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -43.88 142.43 1.34 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.782 0.325 . . . . 73.02 111.37 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -143.84 -86.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 74.03 111.036 -179.817 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.91 -29.25 41.27 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.715 0.293 . . . . 71.13 111.028 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.09 -59.64 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.4 -0.364 . . . . 72.22 110.901 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.2 mtm -79.7 -22.73 43.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 72.51 110.831 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -55.82 -32.23 63.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 75.33 111.032 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.2 -30.99 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 54.34 110.637 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -68.0 -40.84 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 64.12 110.661 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.424 ' CD2' HD23 ' A' ' 56' ' ' LEU . 11.1 m-85 -70.33 -32.02 69.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 72.12 111.037 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.1 mtt -61.19 -53.35 58.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 74.41 110.854 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.2 mtm105 -60.59 -22.95 64.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 71.45 110.929 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.1 p -109.55 19.2 19.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 74.22 111.254 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.49 154.47 16.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.579 -0.82 . . . . 71.44 112.652 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.56 4.54 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.687 0.28 . . . . 72.55 111.369 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.26 165.68 36.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.679 -0.772 . . . . 74.22 112.555 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.416 ' CE2' HG21 ' A' ' 100' ' ' ILE . 68.1 m-85 -140.37 144.22 36.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 72.21 110.955 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.0 120.33 31.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 73.33 110.887 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 33.1 m -92.31 115.28 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 70.22 110.929 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.08 114.58 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.01 111.026 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -121.84 148.89 44.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 74.52 110.728 179.874 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.39 127.89 42.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 64.4 111.072 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 pt -59.07 -29.06 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 72.54 111.044 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -86.31 -25.41 25.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.854 -0.612 . . . . 73.22 111.011 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.02 96.5 7.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.359 -0.382 . . . . 62.13 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.4 m -62.31 -27.2 68.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 73.45 111.006 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -58.29 -36.39 73.24 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.886 0.374 . . . . 75.04 110.499 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.1 p -62.29 -51.37 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 71.32 110.49 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.405 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 76.2 t80 -55.22 -25.65 34.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.546 . . . . 74.43 110.961 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.9 -56.51 4.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 73.11 111.122 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -63.67 -33.41 75.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 75.5 111.176 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.9 mm -60.13 -26.26 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 116.486 -0.325 . . . . 73.33 110.919 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -74.98 -55.39 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 73.22 110.611 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -66.8 -28.4 68.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.967 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -57.04 -37.14 71.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 75.02 110.904 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -39.28 79.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.574 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -54.2 -32.25 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.971 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -40.39 95.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.729 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.416 HG21 ' CE2' ' A' ' 78' ' ' PHE . 9.9 mt -70.22 -34.1 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.33 110.99 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -61.59 -35.4 77.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 75.51 110.896 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -74.52 -58.72 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.12 110.864 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.09 -57.56 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 73.43 111.102 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -66.02 -27.0 67.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.912 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.2 t70 62.33 47.19 5.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 74.3 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.68 139.31 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 72.53 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -71.33 -33.52 69.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 75.5 110.921 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -94.83 92.37 6.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.939 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.6 m -121.1 152.63 57.11 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 73.1 111.013 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.31 102.9 1.43 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.614 2.21 . . . . 72.45 112.271 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 9.0 ptp -154.69 166.43 33.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.381 . . . . 73.24 111.098 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.5 t -144.16 151.59 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 74.42 111.086 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.9 tp -111.89 114.47 27.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.53 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 39.0 t -109.73 153.18 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 75.54 111.03 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -118.94 91.12 0.5 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 74.21 112.499 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -71.34 177.63 3.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.333 . . . . 74.12 110.881 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.7 mttt 63.05 38.41 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.0 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 13.0 t -72.42 -24.52 61.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 72.52 110.983 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -72.97 -24.32 60.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 74.13 111.153 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -50.66 142.79 10.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.436 -0.347 . . . . 64.01 111.121 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.73 22.15 7.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 70.25 111.43 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.38 71.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.433 -0.349 . . . . 62.15 110.961 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.03 85.01 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 74.12 110.948 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 23.2 p -57.78 -33.86 68.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 72.43 110.806 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.2 t -103.59 95.09 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.114 -0.494 . . . . 75.55 110.82 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -55.04 167.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 71.53 111.012 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.1 p -63.64 -38.4 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 65.51 111.065 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -59.81 -52.7 64.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.941 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -56.02 -42.15 76.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 74.1 110.994 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.12 -31.23 64.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 71.24 111.043 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -38.71 81.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 64.24 110.864 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -34.36 71.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 71.02 110.905 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.2 tp -75.6 -50.47 15.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.9 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.24 82.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 73.21 111.13 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -62.52 -32.66 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 74.44 110.92 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -29.37 62.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 74.43 110.681 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -86.39 -20.08 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 75.4 111.191 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.31 21.4 70.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.597 -0.811 . . . . 64.25 112.409 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 4.0 pt -114.46 156.58 44.36 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.719 0.295 . . . . 75.2 111.218 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.38 149.25 62.66 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.569 2.18 . . . . 64.51 112.158 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -114.18 105.89 13.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.874 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.82 145.55 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 75.13 111.134 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -117.82 121.51 40.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.759 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 18.7 p -138.67 -179.78 6.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 75.35 111.055 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.34 128.27 16.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 73.43 110.82 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.66 -23.45 62.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 72.32 111.438 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.4 ' HB2' ' N1 ' ' A' ' 219' ' ' GNP . 4.9 tptt -82.56 -66.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.853 0.358 . . . . 74.24 111.07 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.8 p -68.98 -23.2 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.53 111.113 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.45 65.51 0.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.003 0.43 . . . . 75.23 110.792 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.26 121.2 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 72.22 110.912 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 62.14 18.52 57.85 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 70.41 112.805 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.0 t -55.25 -55.5 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.916 0.389 . . . . 75.3 111.141 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.42 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 6.3 mt-10 -63.66 -28.63 70.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.519 . . . . 71.44 110.865 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -58.2 -47.57 83.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 71.3 110.994 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.98 -48.1 83.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 62.14 111.084 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -59.78 -49.14 78.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 74.04 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 19.0 m-85 -54.64 -36.99 65.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 74.44 111.018 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 3.9 m -57.04 -38.42 73.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 75.35 110.941 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -44.2 91.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 64.35 110.808 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.2 t -59.07 -41.73 84.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 71.43 111.02 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -67.64 -28.83 68.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 73.24 110.942 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.86 -49.95 33.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 73.4 110.896 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.43 HD13 HG21 ' A' ' 163' ' ' ILE . 34.3 mt -57.57 -57.56 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 120.986 0.422 . . . . 75.41 110.973 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -33.32 54.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.868 -0.605 . . . . 74.03 111.015 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -31.9 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.756 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 81.0 t60 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.254 -0.879 . . . . 74.52 110.82 179.904 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.494 ' O1G' ' O ' ' A' ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . 0.431 ' O ' ' CD ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . 0.494 ' O ' ' O1G' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . 0.526 ' H1 ' ' HB3' ' A' ' 17' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.787 0.327 . . . . 73.3 111.19 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.74 149.66 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 63.15 110.774 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.42 108.8 20.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.865 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -98.9 124.3 43.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -98.41 97.2 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 75.52 110.656 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.8 123.5 34.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 75.54 111.039 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.424 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 87.0 t -113.66 102.26 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 74.41 111.057 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.8 t -85.02 143.07 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.417 . . . . 75.23 110.949 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 m -113.18 160.3 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 73.31 111.098 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.92 148.16 19.78 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.806 -0.711 . . . . 53.42 112.394 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.06 -17.61 13.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.68 0.276 . . . . 70.14 111.394 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.06 76.7 0.52 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.767 -0.73 . . . . 53.1 112.427 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.64 35.33 2.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 75.41 112.44 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.49 -26.37 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 72.54 111.201 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.4 25.09 7.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 43.25 112.488 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -58.37 8.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.868 0.365 . . . . 75.44 110.791 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -30.13 70.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 64.51 111.018 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.83 70.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.1 111.115 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -36.36 80.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 73.21 110.936 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.7 m -58.38 -50.43 73.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 71.14 111.077 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.85 -32.11 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 73.31 110.779 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -64.38 -37.61 88.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 72.02 110.674 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD12 ' CD2' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -76.65 -15.26 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 73.42 111.322 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mm -106.56 -69.58 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.758 0.314 . . . . 74.21 111.524 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -84.82 -26.83 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 74.53 111.308 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 65.68 75.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 72.4 110.939 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.82 155.93 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 71.32 110.662 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.483 ' HZ ' HO2' ' A' ' 219' ' ' GNP . 0.3 OUTLIER -61.36 110.85 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 74.44 110.658 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.426 HG22 ' CE1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -55.69 147.4 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 74.0 111.382 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 t0 178.68 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 72.22 110.765 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -94.2 50.31 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 70.41 111.043 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.426 ' CE1' HG22 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -145.94 177.36 9.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.934 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.84 147.94 34.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 74.55 110.787 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.86 -37.43 6.56 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.571 2.181 . . . . 75.33 112.445 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.98 106.67 8.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 74.13 111.098 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 pp -151.97 166.66 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.536 . . . . 75.14 111.434 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.47 26.21 10.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.884 -0.598 . . . . 73.52 111.148 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.29 56.59 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 70.15 110.708 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.4 p -55.37 152.88 7.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 53.22 111.069 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.89 156.88 37.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 72.0 110.773 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.84 115.09 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.899 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -106.18 149.47 26.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 73.52 110.849 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -100.93 120.23 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 73.41 110.967 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 m -133.63 178.01 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.401 . . . . 74.31 111.085 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.9 p -119.46 102.74 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 71.03 111.155 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.3 mm -86.7 116.07 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 74.34 111.118 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 57.9 31.95 21.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 74.5 111.06 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.68 3.82 85.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 71.55 112.854 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -109.13 107.13 17.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.873 0.368 . . . . 75.33 110.768 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -58.8 119.84 7.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.867 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.8 m -147.36 148.66 31.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 51.34 110.927 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.02 150.16 32.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 75.22 110.939 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.7 mt -126.59 87.69 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 74.21 110.854 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -81.58 92.12 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 72.45 110.943 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 23.4 mm -82.63 109.19 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 75.32 111.175 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.15 135.39 46.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 71.44 110.919 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -114.31 69.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.799 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.2 p -75.25 -173.76 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 72.11 110.759 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.45 144.03 26.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 73.33 111.192 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.53 -81.64 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.677 -0.773 . . . . 74.53 112.465 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -141.45 98.14 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.733 0.302 . . . . 75.41 110.998 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -130.02 28.84 5.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 72.11 111.007 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 58.12 53.75 6.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 54.43 110.966 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.402 ' CG ' ' HE2' ' A' ' 67' ' ' MET . 4.5 m-85 -135.95 107.28 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 75.52 110.924 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -115.59 -12.32 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 71.43 111.445 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.26 -50.95 63.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.775 0.322 . . . . 74.24 111.227 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.402 ' HE2' ' CG ' ' A' ' 64' ' ' TYR . 16.2 ptp -72.99 -26.72 61.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 73.42 111.083 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -55.56 -28.13 53.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.395 -0.366 . . . . 74.2 111.15 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -78.5 -29.46 46.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 65.15 111.065 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -76.26 -34.36 59.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.777 0.322 . . . . 73.45 110.954 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -78.42 -56.83 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 75.01 110.773 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.5 mtt -51.72 -48.44 63.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 62.41 110.874 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -60.81 -22.16 63.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 75.14 110.94 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.8 p -103.4 -1.14 29.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.47 . . . . 72.2 111.371 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -92.22 130.03 10.12 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.629 -0.796 . . . . 74.04 112.907 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.02 -22.4 58.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 73.31 110.677 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 179.56 30.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.873 -0.68 . . . . 74.32 112.192 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.424 ' CD1' ' HB ' ' A' ' 7' ' ' VAL . 93.1 m-85 -148.9 136.4 20.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 73.42 110.928 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.17 125.22 50.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 72.23 110.784 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 16.5 m -97.09 115.53 27.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 72.3 110.925 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.8 t -102.6 109.06 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 63.34 111.216 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.66 141.89 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 75.04 110.611 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.28 123.64 34.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 73.44 111.164 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.8 pt -65.14 -28.96 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.781 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.2 -31.05 30.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 63.12 110.584 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.18 103.53 13.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 73.41 110.991 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.0 m -66.86 -26.04 66.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.907 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -56.82 -49.9 74.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 71.03 111.138 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 p -54.45 -38.38 66.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 51.23 111.043 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -57.33 -29.0 63.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 71.21 110.904 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.87 -41.75 51.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.835 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.61 -32.24 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.842 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 11.0 mm -63.92 -25.75 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 116.352 -0.385 . . . . 75.33 110.747 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -75.86 -50.51 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.616 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -28.94 62.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.31 111.031 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.6 -41.36 98.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 74.3 110.805 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.421 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 59.9 ttt-85 -60.34 -42.06 94.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.807 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.45 -27.54 68.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 72.44 111.195 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -38.29 83.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.331 -0.395 . . . . 74.15 110.971 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.8 mt -60.93 -58.9 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 75.13 110.978 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -53.71 -37.92 63.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 74.15 111.07 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -57.54 -58.02 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 75.41 111.187 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 p -72.14 -30.9 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 71.44 111.409 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.74 -19.12 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.218 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 t70 65.8 48.45 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 74.4 110.729 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.48 122.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.906 -0.588 . . . . 75.13 110.737 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.48 -25.17 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 73.3 111.156 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -102.55 99.95 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.368 -0.378 . . . . 72.33 111.165 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.1 m -125.74 153.14 73.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 73.14 110.994 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.64 102.05 1.25 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.582 2.188 . . . . 74.44 112.35 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.8 ptp -147.11 168.46 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 54.34 110.944 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.6 t -143.77 147.72 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 75.42 111.196 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.9 tp -107.62 131.2 54.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 75.41 110.765 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.18 152.28 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 74.24 111.165 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.26 88.36 0.48 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.909 -0.662 . . . . 54.54 112.351 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -67.38 171.94 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 55.33 111.137 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.1 mttp 63.84 41.9 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.952 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 26.3 t -83.24 -16.29 47.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.54 111.213 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -84.89 -19.25 32.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.51 -0.314 . . . . 65.51 111.349 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.93 178.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.714 0.292 . . . . 72.24 111.166 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.61 23.74 7.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 72.42 111.321 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.4 74.55 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 61.21 110.99 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.5 114.99 22.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.34 110.795 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 36.7 p -89.1 -65.05 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 71.31 110.657 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 39.3 t -70.65 99.47 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.894 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.09 156.08 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 73.13 111.186 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.8 t -55.35 -28.3 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 72.14 110.913 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.51 -52.19 65.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.273 -0.421 . . . . 74.1 110.741 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.5 -47.44 85.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.123 -0.489 . . . . 73.22 110.851 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.71 99.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 64.31 111.035 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.49 -35.76 77.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 75.41 110.921 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.26 -31.27 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 71.12 110.823 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.1 tp -80.35 -51.45 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.927 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.47 98.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 75.15 111.114 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -63.19 -29.3 70.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 70.23 111.132 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.4 m -73.96 -34.86 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.871 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.421 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 20.5 m-85 -79.33 -15.57 57.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 74.11 111.222 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.69 19.34 71.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.665 -0.778 . . . . 63.11 112.564 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.437 HD13 HG21 ' A' ' 139' ' ' ILE . 19.2 pt -112.53 154.6 44.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 73.05 111.296 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.89 150.48 78.37 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.557 2.171 . . . . 74.53 112.305 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -119.27 116.9 27.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 65.42 110.913 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.0 mp -117.06 150.64 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 74.33 111.088 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -113.61 127.72 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 73.34 110.746 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 10.7 p -140.3 175.79 9.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.942 0.401 . . . . 71.32 111.161 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.6 t -150.52 124.57 9.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 71.42 110.646 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.07 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 55.01 111.54 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -68.19 -66.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 74.13 111.161 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 14.9 t -83.51 -19.59 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.476 -0.329 . . . . 74.25 111.517 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 70.1 37.3 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 70.33 110.737 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.38 126.18 31.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 74.4 110.962 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 55.11 24.7 36.62 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.929 -0.653 . . . . 72.34 112.821 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.7 -55.3 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-O 120.872 0.368 . . . . 73.22 110.688 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.02 -31.38 72.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 62.13 110.68 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -45.34 83.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 72.24 110.958 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.27 -47.74 82.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 54.43 111.267 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.427 ' CD2' HD12 ' A' ' 23' ' ' LEU . 70.2 m-85 -72.73 -44.74 61.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 73.4 110.967 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -56.68 -35.49 68.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 72.14 110.979 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 92.4 m -60.07 -36.88 78.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 75.44 110.919 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 34.1 tp -67.59 -30.64 70.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.831 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.13 -39.42 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 74.41 111.044 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -76.36 -28.9 56.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 72.24 110.872 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -70.32 -48.35 56.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.013 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.48 -39.76 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 116.367 -0.379 . . . . 71.44 111.266 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -44.73 89.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.409 . . . . 72.45 110.957 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -55.51 -29.96 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.051 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.192 -0.908 . . . . 74.33 110.889 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.573 H5'1 ' O1B' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . 0.501 ' O ' ' O1G' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.814 0.34 . . . . 73.54 111.289 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.09 149.76 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.714 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -110.57 122.97 49.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.866 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -107.48 134.46 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.949 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -112.22 92.08 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.555 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mt -88.81 131.98 34.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.13 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.9 t -104.91 107.79 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.008 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -91.81 139.27 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 73.23 111.065 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.71 175.28 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 75.44 111.047 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.29 154.0 23.04 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 63.31 112.48 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.85 16.53 13.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 73.24 111.439 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.407 ' O ' ' O1B' ' A' ' 219' ' ' GNP . . . 90.65 -15.06 61.29 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.649 -0.786 . . . . 74.11 112.938 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.1 50.62 0.47 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.575 -0.822 . . . . 53.23 112.7 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -117.45 -8.29 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.668 0.247 . . . . 71.15 111.668 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.98 32.95 42.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.66 -0.781 . . . . 72.34 112.573 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.526 ' HE3' ' H1 ' ' A' ' 252' ' ' HOH . 0.0 OUTLIER -69.24 -30.87 69.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.772 0.32 . . . . 72.21 110.948 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.54 -36.46 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 73.51 110.904 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.417 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . . . -58.64 -59.57 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 65.24 111.134 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.41 -26.72 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 75.33 110.986 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.8 m -71.66 -58.88 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 74.14 110.83 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.82 -30.44 42.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 74.13 111.117 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -65.07 -44.75 87.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 73.42 110.645 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.78 -2.91 35.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 63.33 111.449 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.0 mm -114.83 -65.83 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.839 0.352 . . . . 74.44 111.399 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.06 20.98 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 71.04 111.844 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 42.03 32.45 0.3 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.792 0.33 . . . . 73.12 111.484 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.43 ' CE1' ' HA ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -136.24 153.24 51.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.482 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 18' ' ' ALA . 24.7 t80 -53.58 -85.17 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.224 -0.444 . . . . 74.42 111.019 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.43 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . 1.3 p 178.94 148.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.763 0.316 . . . . 74.34 110.983 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 6.4 t70 173.7 -36.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 71.02 110.491 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -94.92 72.93 3.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.521 . . . . 72.12 110.887 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -139.98 158.33 44.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 75.24 110.839 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.11 150.02 40.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 61.21 110.931 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.89 104.47 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.564 2.176 . . . . 75.14 112.158 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.17 103.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 64.04 110.79 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -154.72 170.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 75.24 111.447 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -118.74 26.73 9.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.821 -0.627 . . . . 73.45 111.186 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -82.45 58.23 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.996 0.427 . . . . 75.21 110.657 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.9 p -54.21 153.9 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 74.3 111.189 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -104.74 150.71 24.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 75.4 110.747 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -128.25 106.46 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.889 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -114.14 146.08 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.819 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -102.9 117.53 34.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.951 -0.568 . . . . 74.24 110.624 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.0 m -127.69 177.79 5.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 74.32 111.156 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.34 100.9 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.096 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.6 mm -81.56 99.66 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 73.24 111.166 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 t70 57.32 31.98 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.06 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.63 -28.26 16.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.73 -0.748 . . . . 74.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.75 113.0 15.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 74.34 110.951 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.6 m -78.67 121.79 25.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 64.44 110.85 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.8 m -151.23 150.4 30.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 63.24 111.019 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.62 150.43 32.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 61.1 110.467 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.7 mt -123.59 96.97 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 74.3 111.013 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.92 100.55 13.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.802 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.2 mm -93.09 110.46 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 61.5 111.074 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.26 117.15 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.11 110.577 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -99.15 107.95 20.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.22 110.875 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.4 p -93.09 -173.82 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 64.41 110.797 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.57 147.41 31.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 75.42 111.109 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.37 13.29 21.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.642 -0.789 . . . . 61.5 112.65 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -138.56 -172.3 3.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.818 0.342 . . . . 75.2 110.696 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 63.58 17.43 10.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 75.03 111.2 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 52.89 86.15 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.865 0.364 . . . . 73.45 111.179 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -126.39 121.67 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 75.14 110.84 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.5 p -135.97 -45.16 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 73.41 111.081 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.73 -46.47 70.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 72.52 111.312 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.91 -35.29 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 73.23 110.785 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -59.6 -39.24 83.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 74.51 110.846 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -70.37 -31.22 68.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.511 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -63.5 -42.26 98.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 74.52 110.583 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -69.03 -30.77 69.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.009 -0.541 . . . . 72.34 111.083 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.1 mtt -62.49 -58.19 8.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.796 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 50.0 mtp85 -55.67 -27.06 47.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 73.32 110.957 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.9 p -106.42 19.33 20.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 71.12 111.202 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.94 113.65 3.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.608 -0.806 . . . . 61.12 112.635 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.23 -29.44 68.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.864 0.364 . . . . 72.12 110.819 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.73 -173.3 20.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.938 -0.648 . . . . 74.51 112.239 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -151.58 136.55 17.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 74.42 111.169 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.5 124.69 46.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 75.45 110.807 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 58.3 m -98.49 108.46 21.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.875 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.2 t -100.76 119.37 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 74.13 111.159 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.56 144.44 46.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.714 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.22 127.94 36.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.406 . . . . 74.23 111.178 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.6 pt -59.63 -30.85 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.976 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -79.65 -3.32 46.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 64.23 111.335 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -122.67 100.62 7.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.854 0.359 . . . . 73.41 110.917 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -63.85 -26.72 68.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 73.23 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -66.4 -42.08 88.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 75.21 110.595 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.1 m -60.93 -38.2 84.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 73.54 110.85 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -60.77 -49.38 77.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 71.13 110.852 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.8 -29.73 68.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 74.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 95' ' ' GLN . 8.1 m-20 -70.52 -31.4 68.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 75.35 110.923 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.3 mm -61.5 -29.51 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 73.52 110.702 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -71.27 -52.83 16.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 75.33 110.706 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -71.99 -28.38 63.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 74.44 111.049 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -64.22 -53.68 45.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 73.12 111.002 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -35.69 68.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 74.52 111.155 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -59.86 -33.43 71.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 73.32 110.941 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -33.35 75.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 65.35 110.872 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 mt -68.17 -44.14 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.99 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -58.63 -28.53 65.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 75.24 110.924 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -74.41 -58.23 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.932 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.415 ' CG1' ' CG ' ' A' ' 73' ' ' ARG . 41.6 t -58.54 -58.59 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.86 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -61.0 -24.35 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 73.02 110.879 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.1 t0 63.15 35.09 13.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 62.1 110.7 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.08 138.14 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 75.51 110.914 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -71.38 -29.05 64.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.889 -0.596 . . . . 64.2 110.671 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.02 100.25 11.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.758 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.422 ' CG1' ' HD2' ' A' ' 110' ' ' PRO . 59.7 t -139.21 137.06 18.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.762 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.422 ' HD2' ' CG1' ' A' ' 109' ' ' VAL . 58.5 Cg_endo -72.32 102.82 1.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.758 2.306 . . . . 72.34 112.379 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.17 163.73 34.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 71.33 111.066 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 43.7 t -141.95 146.86 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 73.44 111.231 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.7 tp -107.69 111.85 24.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 75.34 110.742 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 15.9 t -98.68 144.53 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 75.03 111.268 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.1 80.06 0.26 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.76 -0.733 . . . . 74.24 112.414 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -63.12 174.61 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 74.32 110.978 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.0 mttp 61.74 48.85 5.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.933 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.1 t -82.26 -6.27 59.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 71.54 111.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -97.24 -22.4 16.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.644 0.259 . . . . 73.3 111.087 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -48.84 133.98 17.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.49 -0.323 . . . . 74.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.41 26.48 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 74.04 111.313 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.83 36.9 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.428 -0.351 . . . . 74.32 111.109 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -55.86 128.59 35.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 73.33 110.976 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.9 p -98.63 -38.19 9.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.226 -0.443 . . . . 75.25 110.813 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 50.2 t -105.56 94.18 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.098 -0.501 . . . . 74.02 111.077 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.71 158.57 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.303 -0.408 . . . . 72.41 110.882 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.0 p -58.88 -23.71 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 52.04 111.106 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -62.81 -52.92 61.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 73.21 110.959 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.59 -35.36 78.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.976 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.0 70.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 73.31 111.216 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -40.62 94.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 72.32 110.869 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.41 -46.31 83.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 73.52 110.942 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.432 HD13 ' CE2' ' A' ' 137' ' ' TYR . 3.0 tm? -62.57 -51.04 68.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 74.32 111.023 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.47 -38.02 88.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 54.51 111.219 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -65.05 -27.45 68.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.53 111.105 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.91 -28.92 61.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 71.03 110.775 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.432 ' CE2' HD13 ' A' ' 133' ' ' LEU . 21.0 m-85 -85.35 -21.48 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 75.14 111.177 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.46 15.52 63.89 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.632 -0.794 . . . . 61.53 112.627 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 139' ' ' ILE . 22.0 pt -107.17 152.49 41.14 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 120.719 0.295 . . . . 72.45 111.297 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.24 155.5 69.52 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.538 2.159 . . . . 65.34 112.255 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -130.56 117.94 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 75.11 110.862 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.1 mp -122.05 144.63 30.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 72.42 110.909 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -111.21 127.82 55.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 72.55 110.671 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 23.6 p -139.84 179.24 6.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 74.42 111.158 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 p -141.43 119.39 11.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.933 -0.576 . . . . 71.33 110.661 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.23 -22.85 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 71.15 111.483 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -86.2 -45.29 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 72.54 111.178 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.09 -12.54 30.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 73.32 111.448 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 57.39 73.77 0.45 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.912 0.386 . . . . 63.11 110.901 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -125.08 113.47 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 71.23 110.839 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 57.52 20.29 37.56 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 34.43 112.763 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.2 t -54.78 -55.22 16.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.873 0.368 . . . . 72.33 111.061 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -60.12 -25.76 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 72.44 110.797 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -57.72 -52.17 66.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 70.3 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.99 -45.06 87.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 64.43 111.123 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -58.81 -52.01 67.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.971 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.72 -31.42 58.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 75.44 111.119 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.5 m -59.25 -40.25 85.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 60.3 110.826 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -42.75 92.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 74.41 110.929 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.3 t -60.38 -40.61 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 72.32 110.978 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -68.42 -30.33 69.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 74.24 110.91 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.97 -48.91 61.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 61.12 110.933 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 76.7 mt -57.74 -52.66 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.223 -0.444 . . . . 73.45 111.354 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -37.38 36.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 74.31 111.152 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -60.64 -31.55 70.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 73.5 110.823 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.251 -0.88 . . . . 73.45 110.795 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.522 ' PA ' ' O1G' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . 0.526 ' H1 ' ' HE3' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.7 ttm . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.938 0.399 . . . . 71.52 111.13 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.84 149.71 52.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.079 -0.51 . . . . 75.41 110.601 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -94.78 118.51 31.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 71.44 110.777 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -107.27 105.86 16.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 74.42 111.017 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.2 104.75 8.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 71.02 110.731 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.42 127.3 42.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 73.44 111.146 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.406 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 89.6 t -106.27 107.57 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.923 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.0 t -86.55 139.45 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 55.34 111.082 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.49 166.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.5 111.085 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.4 -73.36 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.686 -0.768 . . . . 71.31 112.568 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.59 -172.44 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 74.11 111.089 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.95 28.13 16.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 74.33 112.472 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.2 44.61 0.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.841 -0.695 . . . . 71.2 112.357 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 m -111.01 -25.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 63.5 111.436 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.477 ' HA2' ' O2A' ' A' ' 219' ' ' GNP . . . 112.45 23.27 5.49 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.707 -0.759 . . . . 74.25 112.311 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.82 -46.51 81.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 74.35 111.055 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.5 m -56.82 -51.4 69.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 62.54 110.976 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.32 -40.69 82.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 65.52 111.083 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.34 -42.1 98.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 70.34 110.994 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.9 m -66.08 -46.71 76.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 75.22 111.131 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.59 -34.43 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.315 -0.402 . . . . 74.32 110.9 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -59.65 -39.59 84.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.357 -0.383 . . . . 74.02 110.713 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.64 -5.8 49.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 75.32 111.298 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.1 mm -116.45 -71.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.7 0.286 . . . . 74.41 111.399 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -83.49 -24.91 31.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.02 111.261 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 69.63 69.15 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 72.22 111.202 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -173.77 162.55 4.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 63.5 110.602 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -56.09 -78.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 74.25 111.168 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.1 t 173.2 134.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.773 0.32 . . . . 65.3 110.781 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 t70 179.46 -38.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.775 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -99.22 60.27 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 75.32 111.05 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -136.49 145.7 45.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.41 110.83 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.59 146.61 41.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 71.32 110.926 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.21 -168.01 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.58 2.187 . . . . 65.11 112.345 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.6 m 60.56 42.46 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 72.4 110.925 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.6 pt -146.72 172.4 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 74.25 111.189 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -87.32 -5.74 58.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 71.22 111.347 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.96 24.9 13.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.796 0.331 . . . . 73.1 111.09 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.0 t -97.82 143.94 27.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 74.22 110.884 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -137.01 174.3 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.987 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -143.59 113.9 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 74.35 110.815 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -119.52 147.44 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 75.23 111.072 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -106.76 118.89 37.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.976 -0.556 . . . . 72.31 110.703 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.9 m -134.15 178.51 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 75.14 111.211 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -121.21 100.82 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 73.33 111.21 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.415 HG21 HD12 ' A' ' 46' ' ' ILE . 36.2 mt -115.98 133.51 62.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.895 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t0 67.19 31.47 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 60.32 110.786 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.65 31.12 78.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 74.11 112.649 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -147.54 113.85 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 71.41 110.802 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.8 m -60.24 123.69 17.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 71.1 110.773 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 97.8 m -145.66 144.03 30.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 73.2 110.99 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.46 143.35 36.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.125 -0.489 . . . . 72.1 110.791 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.3 mt -119.66 104.61 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 72.41 110.99 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -90.96 96.55 10.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 74.41 110.814 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.5 mm -86.46 108.71 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 71.21 111.061 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -102.58 131.93 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 72.52 110.756 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.47 104.35 9.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.649 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.1 p -75.4 -175.85 2.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 75.55 110.925 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.3 154.02 39.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 73.13 111.176 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.84 69.49 0.99 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.694 -0.765 . . . . 73.21 112.507 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.33 134.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.924 0.392 . . . . 74.35 110.837 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 178.98 -174.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 65.13 110.681 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -92.78 39.6 1.04 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 74.1 111.031 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.98 41.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 74.13 110.83 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.85 -26.81 37.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 74.12 111.189 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.14 -55.56 26.54 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 71.34 111.225 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.0 mmt -83.9 -25.86 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.938 -0.573 . . . . 71.44 111.041 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -58.29 -37.86 75.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 73.31 110.791 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.32 -29.32 63.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 71.35 110.782 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -67.46 -50.81 57.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 74.21 110.735 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -55.81 -40.61 72.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 75.34 111.262 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mtt -59.76 -55.65 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 73.53 110.881 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.41 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 7.7 mtt-85 -61.88 -19.33 62.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 75.13 111.287 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.4 p -104.04 -2.57 25.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.511 -0.313 . . . . 74.4 111.533 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.62 122.34 7.53 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.527 -0.845 . . . . 73.25 112.672 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.1 -29.93 70.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 74.32 110.748 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.34 -167.07 12.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.92 -0.657 . . . . 64.04 112.32 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.406 ' CD1' ' HB ' ' A' ' 7' ' ' VAL . 96.6 m-85 -151.34 139.16 19.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.919 0.39 . . . . 73.33 111.124 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.41 123.24 42.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 73.23 110.666 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.4 m -100.87 114.41 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 74.33 111.027 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 62.4 t -109.09 110.24 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 64.41 111.093 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -123.11 143.2 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.519 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.04 123.68 31.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 70.43 111.078 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.3 pt -57.28 -31.66 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 72.52 111.088 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -75.07 -31.62 61.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.576 . . . . 75.02 111.051 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -101.26 104.69 15.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 71.44 111.049 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.4 m -68.52 -21.72 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 75.52 111.022 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -61.39 -43.77 98.3 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.389 -0.369 . . . . 74.2 110.866 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -59.11 -38.83 80.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.296 -0.411 . . . . 72.33 110.823 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.416 ' CE1' HD23 ' A' ' 133' ' ' LEU . 25.0 t80 -60.16 -28.79 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 75.31 110.861 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -71.88 -34.04 68.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 63.43 110.983 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.3 -32.62 66.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 74.42 110.87 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.3 mm -59.61 -25.57 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 72.42 111.021 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -77.94 -55.37 5.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 75.23 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -28.42 68.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 71.53 111.013 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.32 -44.34 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.356 . . . . 74.23 110.854 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -43.13 82.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 71.3 110.915 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.92 -38.49 79.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.54 110.921 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -38.73 86.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.7 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.7 mt -65.47 -50.84 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 64.5 110.856 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -40.46 58.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 73.01 110.933 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -58.9 5.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.225 -0.443 . . . . 74.13 111.04 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.41 ' CG1' ' CG ' ' A' ' 73' ' ' ARG . 72.6 t -56.73 -59.46 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 72.33 111.085 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.6 OUTLIER -59.61 -23.22 62.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 75.25 110.763 179.76 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.1 t0 63.15 42.84 6.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 74.03 110.829 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.28 137.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.517 . . . . 73.51 110.938 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.31 -32.08 73.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.814 -0.63 . . . . 74.11 110.769 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -76.64 96.94 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 64.11 110.661 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.419 ' CG1' ' HD2' ' A' ' 110' ' ' PRO . 48.4 t -135.88 136.44 23.28 Favored Pre-proline 0 N--CA 1.453 -0.297 0 CA-C-N 116.218 -0.446 . . . . 72.11 110.946 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.419 ' HD2' ' CG1' ' A' ' 109' ' ' VAL . 57.6 Cg_endo -73.05 101.06 1.29 Allowed 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.741 2.294 . . . . 75.3 112.164 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 18.3 ptp -141.73 165.89 26.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 72.41 111.103 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 57.6 t -142.19 146.44 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 73.02 110.936 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.1 tp -109.44 107.0 16.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 75.51 110.901 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.5 t -94.43 150.52 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 74.2 111.17 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -121.32 84.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.819 -0.705 . . . . 53.12 112.38 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -66.83 172.85 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 74.03 111.035 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.54 67.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 74.21 111.032 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.9 t -110.34 -19.55 12.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 64.53 111.114 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.93 -54.9 23.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.429 -0.35 . . . . 72.43 111.077 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.569 HD12 HN21 ' A' ' 219' ' ' GNP . 0.0 OUTLIER -53.79 162.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 75.32 111.147 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.81 39.9 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 74.42 111.106 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -131.44 60.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 74.12 110.977 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.36 146.12 24.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 75.51 111.134 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.4 p -108.43 -39.66 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.54 110.617 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 38.7 t -95.47 101.22 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 61.43 110.967 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -55.78 161.69 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 71.14 111.128 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.7 t -61.4 -42.99 99.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.11 111.092 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -54.14 -46.11 72.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.92 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -60.19 -41.7 93.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.889 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.7 -30.46 64.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 63.32 110.959 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -73.14 -35.07 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.896 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.88 -31.86 72.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 60.21 110.913 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.416 HD23 ' CE1' ' A' ' 90' ' ' PHE . 14.6 tp -78.68 -51.41 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 72.51 110.979 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.18 -51.43 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 75.11 111.113 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -58.29 -25.34 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 72.24 111.093 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.51 -28.98 59.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 72.23 110.794 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -94.52 -5.06 46.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 74.24 111.42 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.84 23.83 77.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 75.15 112.486 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 17.6 pt -111.94 154.16 44.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 75.33 111.354 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.51 167.36 22.78 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.608 2.205 . . . . 73.23 112.369 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -143.55 106.81 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 64.44 110.784 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.2 mp -112.71 153.69 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 75.41 111.088 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -120.2 139.09 53.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 74.43 110.951 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 16.3 p -147.81 -177.9 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 73.4 110.989 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.8 p -146.03 114.59 6.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 64.12 110.709 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.32 -19.19 65.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 64.32 111.451 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -83.0 -66.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.501 -0.318 . . . . 74.33 111.092 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.8 p -75.43 -20.61 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 72.53 111.227 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 65.26 66.3 0.55 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.936 0.398 . . . . 75.5 110.891 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -116.87 120.38 38.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 73.53 110.8 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 60.13 23.69 59.94 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.806 -0.711 . . . . 74.24 112.606 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.39 -58.82 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 120.734 0.302 . . . . 74.21 111.055 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -62.04 -26.01 68.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 73.01 110.906 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -42.62 82.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 70.44 110.949 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -68.27 -42.67 79.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.44 111.008 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -63.66 -51.4 65.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 73.35 110.881 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -53.63 -31.49 47.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 61.3 110.97 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 51.1 m -59.81 -41.56 91.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.853 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.65 -48.07 82.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 74.1 110.961 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 20.9 t -54.53 -44.7 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 74.34 111.129 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -35.12 76.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 72.44 110.712 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -67.2 -45.89 75.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.55 110.761 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 21.1 mt -61.65 -48.01 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.12 -0.491 . . . . 75.43 111.146 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -51.04 -30.7 16.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 75.43 111.104 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -68.4 -41.55 80.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.808 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.232 -0.89 . . . . 72.44 110.718 179.854 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.866 " H3'" ' H8 ' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . 0.574 ' O ' ' O1G' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.897 0.38 . . . . 73.04 111.14 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.66 149.9 20.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 74.35 110.751 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -105.13 108.66 20.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 72.22 110.868 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -97.41 131.66 43.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 62.44 110.904 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.9 99.1 8.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.855 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.1 mt -99.01 136.73 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 73.52 110.944 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' A' ' 78' ' ' PHE . 3.2 m -110.26 106.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 75.23 111.151 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.92 145.13 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 73.21 111.29 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.7 164.25 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 73.54 110.971 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.57 165.59 35.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.65 -0.786 . . . . 63.12 112.594 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.38 23.46 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.692 0.282 . . . . 74.1 111.342 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.65 -85.94 1.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 73.42 112.641 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.12 58.18 5.05 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 70.42 112.733 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.3 m -133.44 20.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 55.42 111.316 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.12 30.53 73.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 73.25 112.548 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -58.52 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 75.22 110.876 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 p -69.51 -28.21 65.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.31 110.92 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.27 -50.48 64.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.383 . . . . 71.43 111.241 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.04 -40.24 95.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 75.41 110.82 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.0 m -59.68 -57.28 13.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 74.22 110.927 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.07 -31.65 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 75.05 110.803 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -65.08 -45.79 83.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 74.11 110.888 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -76.71 -13.75 60.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 74.24 111.377 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.2 mm -99.73 -75.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.67 0.271 . . . . 73.43 111.321 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -85.13 -27.59 26.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 64.3 111.305 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 64.42 31.18 12.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 71.12 110.809 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.13 7.59 10.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 74.1 111.54 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.5 t80 64.07 134.67 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.841 0.353 . . . . 73.35 110.464 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.31 102.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.13 0.49 . . . . 71.34 111.394 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -117.89 -21.11 8.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.5 -0.773 . . . . 74.5 111.629 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -171.06 123.29 0.59 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.764 0.316 . . . . 72.1 110.358 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -141.2 164.45 30.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 73.01 110.965 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.17 121.88 61.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 75.52 110.733 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -77.66 -9.38 17.16 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.506 2.137 . . . . 74.34 112.625 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 t -76.1 -25.76 55.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.462 -0.335 . . . . 65.41 111.244 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 pt -104.18 168.96 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.371 . . . . 74.41 111.363 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.42 -10.68 59.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 73.52 111.796 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 61.76 27.81 17.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.898 0.38 . . . . 72.24 110.974 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 t -94.93 144.94 25.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.941 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -141.02 171.33 14.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 71.53 110.846 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.49 123.8 10.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 73.03 110.885 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -112.83 148.89 33.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.52 110.805 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -99.86 119.55 38.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 72.2 110.929 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -131.88 175.61 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 72.23 111.109 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -116.91 105.7 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 73.12 111.044 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.1 mt -120.24 140.4 44.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 71.51 110.963 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t0 65.41 15.86 10.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 43.44 111.173 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.05 -18.04 52.94 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.728 -0.749 . . . . 75.01 112.884 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -106.54 145.06 32.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 72.54 111.179 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.7 m -76.02 136.38 39.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 73.01 110.678 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 61.6 m -153.75 145.11 23.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 64.32 110.943 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.18 143.29 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 75.13 110.751 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.4 mt -114.87 86.22 2.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 73.32 110.942 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 96.18 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.825 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 mm -92.85 110.51 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.13 111.132 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.41 124.7 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.622 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -103.73 103.94 13.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 73.13 110.563 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.9 p -75.23 -178.69 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 70.13 110.877 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.51 162.5 28.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 75.51 111.184 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.22 -15.51 15.78 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.775 -0.726 . . . . 74.13 112.655 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -77.01 -24.56 52.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.652 0.263 . . . . 71.32 111.076 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 66.81 -163.29 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.448 -0.342 . . . . 75.03 110.782 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 72.76 29.6 1.91 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.852 0.358 . . . . 74.35 110.975 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -145.88 61.73 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 74.43 110.812 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.8 p -62.76 -20.99 65.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 63.2 111.233 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.55 -58.9 5.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.814 0.34 . . . . 75.11 111.315 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -82.28 -32.86 29.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.54 110.824 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -33.76 72.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.856 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -76.68 -29.73 56.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.885 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -67.46 -33.27 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 74.45 110.924 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -72.32 -35.52 68.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 72.21 111.212 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.6 mtt -57.23 -50.77 71.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.844 0.354 . . . . 74.53 110.702 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.429 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 58.5 mtm-85 -63.53 -21.23 66.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.075 -0.511 . . . . 72.35 110.971 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.0 p -106.37 14.26 27.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 74.4 111.337 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -115.39 118.62 4.34 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.496 -0.859 . . . . 71.54 112.701 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.55 -25.21 63.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.729 0.299 . . . . 75.54 110.905 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.13 153.69 24.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 74.44 112.37 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.437 ' CE1' ' HD2' ' A' ' 104' ' ' LYS . 2.7 m-85 -123.98 125.43 44.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 74.22 111.076 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.19 130.29 55.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 62.53 110.999 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 57.7 m -107.17 117.0 32.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 63.52 110.709 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -103.28 113.72 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 74.12 111.317 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.22 147.76 48.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 73.52 110.591 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.26 123.85 42.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 64.15 111.174 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 pt -60.2 -26.83 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.072 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -74.63 -30.65 61.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 74.03 110.945 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -98.87 104.85 16.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.382 -0.372 . . . . 75.21 111.068 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.6 m -65.23 -23.37 67.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.41 110.924 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -69.62 -48.45 59.95 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.336 -0.393 . . . . 74.42 110.594 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -59.61 -30.79 68.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 70.52 110.782 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -59.6 -41.7 90.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 73.14 110.75 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.69 -29.18 61.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 72.23 110.995 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.428 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 0.6 OUTLIER -61.9 -31.33 71.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 73.22 110.821 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.1 mm -61.73 -30.81 49.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 74.44 110.737 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -69.58 -55.4 10.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 74.21 110.671 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -66.47 -30.03 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 70.13 111.007 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.7 m-85 -62.48 -40.32 96.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 72.45 110.924 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.424 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 11.7 ttt85 -66.11 -30.72 71.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.76 -36.35 83.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.944 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -63.43 -39.28 94.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 65.11 110.857 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.1 mt -63.94 -48.65 85.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.014 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -54.58 -36.02 63.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.156 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -62.94 -59.02 5.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 75.12 111.138 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.429 ' CG1' ' CG ' ' A' ' 73' ' ' ARG . 95.9 t -64.12 -52.61 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 73.4 110.824 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.437 ' HD2' ' CE1' ' A' ' 78' ' ' PHE . 4.4 mtpm? -62.94 -26.77 68.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 73.31 110.919 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.3 t0 62.61 46.18 5.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 74.15 110.868 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.47 161.47 6.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.811 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.17 -56.37 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 65.33 110.871 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -72.55 85.04 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.912 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.51 152.93 58.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 72.12 111.083 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.58 113.85 3.09 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.554 2.17 . . . . 72.13 112.459 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.2 ptp -165.22 164.59 20.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 74.45 110.979 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.4 t -144.53 152.76 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.14 111.284 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.6 tp -114.83 112.16 22.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 64.31 110.831 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.68 146.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 75.12 111.145 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.45 87.72 0.47 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.794 -0.717 . . . . 72.0 112.57 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -67.35 174.47 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.756 0.312 . . . . 71.13 110.828 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm 62.94 45.1 5.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.889 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 12.3 t -81.94 -22.49 36.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 64.34 111.241 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -90.94 -19.01 23.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.444 -0.344 . . . . 74.31 111.466 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.7 mt -48.03 142.49 5.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.772 0.32 . . . . 74.51 111.09 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -92.7 19.29 7.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 65.42 111.563 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.31 69.83 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.818 0.342 . . . . 64.43 110.968 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -89.0 132.75 34.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 74.14 110.926 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.9 p -103.95 -46.76 4.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 65.42 110.733 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.2 t -94.53 103.95 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.904 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -59.43 161.5 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.954 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.3 p -61.87 -40.65 96.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 75.13 111.043 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -55.8 -43.71 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.982 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -66.22 -35.93 81.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -35.92 67.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.04 111.152 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -35.5 76.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 72.32 110.866 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.46 -44.44 89.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.843 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.26 -51.76 41.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.258 -0.428 . . . . 75.0 111.047 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.38 -32.39 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 75.24 110.993 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -65.12 -26.19 68.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 74.02 111.1 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.1 m -74.62 -28.82 61.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.954 0.407 . . . . 70.51 110.726 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.424 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 23.1 m-85 -83.2 -21.56 33.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.969 -0.56 . . . . 71.2 111.097 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.44 16.29 64.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.715 -0.755 . . . . 64.23 112.631 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 29.4 pt -107.91 153.79 41.44 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.723 0.297 . . . . 75.44 111.361 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.96 150.21 66.67 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.581 2.187 . . . . 73.24 112.281 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -124.9 118.53 26.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 72.4 110.804 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.05 145.06 23.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 73.02 110.952 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -110.89 131.23 55.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 62.44 110.819 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 19.1 p -146.21 177.81 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.407 . . . . 75.05 111.275 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.93 127.31 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 72.23 110.818 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.82 -18.44 62.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 71.12 111.493 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -90.63 -51.61 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.555 -0.293 . . . . 72.44 111.295 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 149' ' ' ARG . 25.3 p -93.63 13.43 22.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.556 -0.293 . . . . 74.24 111.637 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 148' ' ' THR . 0.6 OUTLIER 28.25 63.56 0.11 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.129 0.418 . . . . 74.13 112.129 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -110.47 108.1 17.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 72.44 111.16 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 75.9 12.91 83.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 71.21 112.989 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 59.0 t -57.18 -54.16 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-O 120.794 0.331 . . . . 74.15 111.062 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 4.4 mt-10 -59.99 -27.4 66.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.34 110.659 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -55.94 26.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 64.42 110.707 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.8 -47.53 64.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 74.25 111.345 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.21 -51.13 70.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 75.51 110.912 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.5 m-85 -58.32 -34.27 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 71.42 111.058 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 4.7 m -57.13 -44.53 83.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.35 -0.386 . . . . 70.21 110.855 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 55.7 tp -59.85 -44.68 93.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 74.23 110.738 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 24.1 t -53.85 -37.77 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.071 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -76.39 -34.44 58.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.731 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.38 -43.58 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.32 110.873 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 67.7 mt -59.54 -51.15 76.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.254 -0.43 . . . . 72.54 111.24 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -57.63 -33.47 68.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 71.42 110.95 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -30.98 69.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 75.13 110.886 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 61.9 t60 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.228 -0.892 . . . . 65.44 110.818 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.776 " H2'" ' PA ' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 121.055 0.455 . . . . 54.24 111.371 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.06 146.72 37.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.829 -0.623 . . . . 74.12 110.813 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.47 132.45 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 63.13 110.802 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -122.19 112.45 18.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.937 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 100.72 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 73.54 110.724 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.23 126.63 39.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.11 111.091 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.4 t -112.48 103.46 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.024 -0.535 . . . . 72.33 110.951 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.7 t -77.31 140.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 72.32 111.057 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.6 m -143.89 -177.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 73.42 111.159 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.9 -174.89 15.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.722 . . . . 71.22 112.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.14 160.78 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 74.34 111.08 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.97 -83.67 0.02 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.838 -0.696 . . . . 74.13 112.587 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.41 -102.99 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.648 -0.787 . . . . 71.2 112.096 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.1 m 42.22 30.83 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.803 0.335 . . . . 72.12 111.865 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.76 38.78 60.07 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.839 -0.696 . . . . 73.35 112.649 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -74.59 -58.4 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 74.34 110.998 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -37.07 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.861 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.91 -34.42 73.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 71.24 111.043 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.06 -38.66 86.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 65.14 110.841 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 83.8 m -68.21 -35.69 78.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.897 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.2 mm -62.08 -43.83 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 73.13 111.179 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -59.34 -45.84 90.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 75.24 111.029 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.42 ' HG ' ' CD2' ' A' ' 156' ' ' PHE . 3.1 tm? -71.62 -45.85 60.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 75.22 111.026 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.6 mm -66.91 -76.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 72.11 111.249 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.1 mt-30 -89.6 -97.2 0.1 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.561 -0.291 . . . . 74.41 111.055 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 3.4 m-20 166.36 43.28 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.827 0.346 . . . . 75.01 110.846 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -148.76 -170.58 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 73.43 111.119 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.416 ' CZ ' " O2'" ' A' ' 219' ' ' GNP . 1.0 OUTLIER -118.16 100.96 7.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 74.0 110.757 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.17 145.88 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 71.21 111.264 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -88.32 -65.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 73.51 110.775 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.48 79.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 73.01 110.933 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -138.24 145.21 41.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 64.54 110.859 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.85 118.65 7.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.668 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.25 -40.33 8.68 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.445 2.097 . . . . 71.2 112.178 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.79 43.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 74.33 110.864 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.98 176.98 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 74.01 111.157 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -93.85 47.37 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 72.2 111.005 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 51.49 25.92 2.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.173 -0.467 . . . . 73.34 111.352 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.2 m -117.67 162.64 17.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.387 . . . . 61.24 111.007 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.49 174.5 13.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 71.51 110.754 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.55 155.38 41.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.828 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -155.07 147.34 23.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 74.11 110.944 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -100.3 122.63 43.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.809 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.4 m -134.97 -178.06 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.21 111.197 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -118.05 100.84 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 75.23 111.117 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.9 mm -83.55 105.77 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.983 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.2 t0 59.44 37.77 22.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 70.11 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.55 -6.35 82.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 31.25 112.841 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.78 114.28 27.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 74.54 110.983 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.5 m -70.66 121.47 17.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 74.4 110.983 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.5 m -148.7 149.85 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.891 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.83 141.96 37.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 64.04 110.945 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.6 mt -121.98 93.36 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.805 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.12 95.7 10.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 70.13 110.892 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 13.0 mm -85.44 111.02 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 74.24 111.024 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -101.89 119.52 38.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.242 -0.436 . . . . 71.41 110.714 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -117.54 98.31 6.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 54.12 110.754 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.7 p -78.98 -173.74 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.03 110.898 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.44 159.85 5.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 73.03 111.217 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.18 -31.83 1.96 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 74.12 112.564 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.55 85.7 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 74.23 110.871 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.37 171.77 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.53 110.847 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -110.58 46.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 75.14 110.879 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -97.76 82.88 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.935 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.34 -24.05 24.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.41 111.096 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.99 -63.62 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.921 0.391 . . . . 74.51 111.311 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.413 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 15.2 ptp -63.13 -30.72 71.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.97 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -25.41 44.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.41 111.121 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.18 -24.95 34.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 73.22 111.238 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -80.77 -39.81 26.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 74.11 110.999 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.413 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 14.5 m-85 -74.17 -53.17 10.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 75.34 110.981 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.1 mtt -54.94 -46.76 75.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 65.5 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 58.9 mtp180 -62.91 -24.44 67.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 73.42 111.067 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 73.8 p -100.55 -9.9 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 74.44 111.418 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.96 132.1 10.9 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.624 -0.798 . . . . 73.2 112.857 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.04 -21.7 58.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 64.41 110.859 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.58 -171.7 23.07 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.889 -0.672 . . . . 72.54 112.418 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.421 ' CD2' HG23 ' A' ' 100' ' ' ILE . 93.6 m-85 -150.26 135.15 17.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 72.5 110.904 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.75 115.79 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 74.52 111.039 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 75.3 m -93.68 119.07 32.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.761 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.1 t -113.06 130.02 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.462 . . . . 74.24 111.145 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 7.8 p90 -139.18 151.78 46.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 71.23 111.014 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.96 124.06 40.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.33 111.103 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.3 pt -59.9 -32.18 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 73.3 111.092 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.11 -19.15 65.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.51 . . . . 74.32 111.15 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -119.61 103.31 9.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.365 -0.38 . . . . 65.02 110.866 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -64.15 -22.87 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 70.35 111.096 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -64.78 -43.13 94.25 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.859 0.361 . . . . 72.41 110.655 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.2 m -60.74 -39.3 88.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.74 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 130' ' ' ALA . 26.2 t80 -59.18 -25.25 63.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 75.5 110.996 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.37 -34.71 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 63.34 111.04 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.72 -34.89 78.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.992 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.3 mm -59.6 -27.71 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.406 . . . . 75.33 111.007 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -74.21 -55.33 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.806 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -67.39 -29.05 68.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 70.33 111.063 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.84 -43.42 94.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 73.14 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -58.15 -40.78 82.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 75.53 110.863 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.92 -28.22 49.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.116 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -76.15 -42.13 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 74.53 110.892 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.421 HG23 ' CD2' ' A' ' 78' ' ' PHE . 49.3 mt -64.78 -46.31 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 75.12 110.941 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -57.48 -28.89 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 55.34 110.924 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -70.75 -58.59 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 72.44 110.806 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.4 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 39.0 t -57.08 -56.65 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 74.23 111.052 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -63.1 -20.58 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 74.02 111.029 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 61.58 46.53 7.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 75.05 110.886 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.18 154.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.5 111.013 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -81.06 -41.01 23.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.673 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -70.08 94.95 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 72.31 110.711 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.61 136.14 28.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 74.11 110.769 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -73.01 100.91 1.26 Allowed 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.809 2.339 . . . . 73.42 112.344 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 10.6 ptp -144.91 170.36 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 73.44 110.837 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 42.9 t -143.87 146.76 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 73.51 111.127 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.4 tp -113.79 131.41 56.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 75.43 110.719 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.404 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 5.2 m -123.99 158.9 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 73.44 111.497 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.23 75.82 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.897 -0.668 . . . . 75.32 112.257 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -48.97 159.0 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 73.34 111.24 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.427 ' HA ' ' O6 ' ' A' ' 219' ' ' GNP . 0.6 OUTLIER 64.36 61.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 75.33 110.882 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 15.1 t -104.05 20.76 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.513 . . . . 64.41 111.026 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -116.78 -38.72 3.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 75.55 110.921 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 40.8 mt -54.15 151.57 6.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 71.3 110.956 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.08 36.96 1.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 64.4 111.249 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.63 74.52 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.06 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -99.53 135.08 41.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 75.44 110.905 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.8 p -105.37 -27.89 11.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 63.45 110.791 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.7 t -111.13 96.33 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.075 -0.511 . . . . 71.32 110.759 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -56.07 164.4 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 72.35 111.044 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 m -60.98 -39.41 89.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 71.51 110.959 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -58.58 -50.04 75.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 70.22 110.926 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.05 -41.77 88.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 73.11 111.0 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . . . -72.31 -42.8 65.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 73.13 111.059 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -31.82 73.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.826 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.19 -35.94 76.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 72.23 110.686 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 52.9 tp -78.68 -50.72 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.12 110.745 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.2 -35.74 72.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.936 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -69.24 -26.87 65.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 75.03 110.83 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -37.34 62.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 74.34 110.522 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.48 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.1 m-85 -77.79 -15.08 59.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.914 -0.585 . . . . 73.02 111.104 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.76 20.35 68.54 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.685 -0.769 . . . . 74.52 112.427 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.48 HG12 ' HB2' ' A' ' 137' ' ' TYR . 7.8 pt -110.17 156.81 39.51 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.828 0.346 . . . . 75.43 111.645 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.85 152.01 51.79 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.614 2.209 . . . . 74.41 112.318 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -122.44 117.29 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.745 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.2 mp -118.52 151.04 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.33 111.023 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -112.01 117.88 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.397 . . . . 74.22 111.101 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 75.2 p -128.34 163.85 23.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.31 111.104 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 81.9 p -136.1 117.81 15.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 65.01 110.846 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.03 -13.94 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 71.13 111.586 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -96.97 -66.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 75.01 111.204 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -70.51 -21.66 62.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 64.22 111.405 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 63.48 73.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.905 0.383 . . . . 75.21 110.755 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -125.86 115.24 19.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 73.53 110.837 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.12 14.82 59.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.677 -0.773 . . . . 70.52 112.843 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 36.0 t -50.36 -55.2 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 74.23 111.203 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.406 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 2.9 mt-10 -63.53 -27.44 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.804 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -51.46 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.889 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.78 -48.74 80.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 70.15 111.125 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.42 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 7.8 m-85 -57.55 -51.03 71.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.864 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.8 m-85 -55.97 -36.06 67.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.897 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 7.8 m -58.15 -38.29 76.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.5 110.844 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -37.49 81.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 74.43 110.828 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 7.6 t -64.6 -40.66 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 72.32 111.064 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -37.68 75.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 74.15 110.969 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.95 -51.56 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.964 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.43 -44.89 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.371 -0.377 . . . . 70.24 111.338 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -53.78 -40.85 66.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 75.31 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -29.82 64.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 71.4 110.955 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.123 -0.942 . . . . 72.52 110.998 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.463 ' O3G' ' O1B' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.847 0.356 . . . . 75.14 111.145 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.03 145.48 45.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.853 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -98.65 110.41 23.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.907 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -98.94 114.44 27.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.878 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 99.65 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 75.43 110.765 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.1 mt -93.02 128.08 38.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 75.3 110.993 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.409 ' HB ' ' CD2' ' A' ' 78' ' ' PHE . 70.4 t -97.38 102.16 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.02 111.121 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 t -84.55 142.11 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 74.15 111.078 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.8 m -145.68 163.98 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 74.53 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.401 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 151.47 163.86 11.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.763 . . . . 73.53 112.522 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.26 161.35 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 73.34 111.16 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.28 -18.61 60.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 75.34 112.807 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.92 41.79 2.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 75.54 112.603 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -111.11 -28.34 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.764 0.316 . . . . 71.32 111.302 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.0 26.29 22.32 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.693 -0.765 . . . . 73.22 112.427 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 258' ' ' HOH . 11.9 pttt -58.6 -47.87 82.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 75.31 111.003 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 p -66.94 -32.14 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 73.32 110.89 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.31 86.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.108 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.6 -32.55 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 74.45 110.979 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m -61.2 -56.35 21.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 75.43 110.978 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.17 -31.96 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.283 -0.417 . . . . 74.44 110.755 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -60.23 -46.92 88.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 71.5 110.655 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -76.93 -19.67 57.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 71.04 111.191 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mm -90.49 -77.32 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.481 -0.327 . . . . 74.33 111.443 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.423 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 41.4 mt-30 -87.27 -28.6 22.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.508 -0.314 . . . . 63.52 111.304 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.79 54.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 74.43 111.202 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' CD2' ' HB2' ' A' ' 25' ' ' GLN . 7.2 p80 -147.49 14.97 1.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.378 -0.374 . . . . 72.54 111.576 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.521 ' CZ ' " O2'" ' A' ' 219' ' ' GNP . 2.4 t80 63.02 136.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.735 0.303 . . . . 73.2 110.449 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.41 134.6 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.95 0.405 . . . . 74.04 110.91 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 178.05 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.848 -0.615 . . . . 73.21 110.655 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -117.81 80.25 1.48 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.936 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -142.78 142.22 31.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.791 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.04 148.96 41.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.36 -0.382 . . . . 73.53 111.03 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.56 -164.93 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.568 2.178 . . . . 75.15 112.23 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t 69.92 17.06 7.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.332 -0.394 . . . . 74.02 111.191 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 pt -136.22 10.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.476 -0.329 . . . . 74.45 111.43 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER 62.15 15.98 7.92 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.531 -0.304 . . . . 72.43 111.382 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 48.91 28.06 1.83 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.763 0.316 . . . . 73.2 111.41 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.2 t -107.51 151.85 25.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 75.2 111.154 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -152.76 141.65 21.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.032 -0.531 . . . . 61.3 110.67 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.5 126.9 52.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 73.4 110.82 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -116.02 149.75 38.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 73.55 110.996 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -89.89 120.68 31.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.727 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.3 175.79 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 72.05 111.196 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -120.86 100.83 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 75.21 111.094 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.0 mm -81.91 102.41 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 74.22 111.106 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.3 t0 59.44 35.93 23.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 70.32 110.851 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.89 -4.1 81.44 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.692 -0.766 . . . . 73.11 112.838 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -103.34 107.37 18.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.776 0.322 . . . . 74.45 110.909 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.0 m -60.77 120.38 10.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 75.04 110.857 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 91.5 m -149.31 147.93 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 75.2 111.021 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -83.46 151.7 25.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 71.44 110.698 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.6 mt -122.22 79.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 71.54 111.0 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.7 94.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 63.51 110.729 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.6 mm -80.58 108.66 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.267 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -89.78 100.99 13.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 72.11 110.738 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.17 105.76 15.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 74.43 111.009 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.9 p -81.03 -173.79 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 64.34 110.809 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.84 162.47 29.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 74.24 111.072 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.0 -38.05 2.07 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.723 -0.751 . . . . 74.4 112.479 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -112.4 -34.33 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 75.12 110.98 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.56 106.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 63.24 110.86 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -58.72 118.07 5.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 53.12 110.989 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -157.64 120.78 3.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 64.42 110.858 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.8 p -116.64 -36.94 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.893 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.52 -56.37 22.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 75.3 111.077 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.2 null -71.09 -29.86 65.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.823 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 -62.64 -30.25 71.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.869 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -31.2 44.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.983 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -65.4 -33.16 75.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 54.12 110.772 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -69.08 -44.56 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 74.14 110.782 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.7 mtt -57.73 -50.31 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 72.24 110.653 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.4 mtp85 -63.96 -21.58 66.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 73.4 111.052 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.9 p -104.59 2.55 30.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.446 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.22 139.5 14.83 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.562 -0.828 . . . . 74.31 112.797 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.03 -18.66 31.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.708 0.289 . . . . 73.13 111.083 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.17 168.14 31.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 72.12 112.374 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CD1' HG21 ' A' ' 100' ' ' ILE . 57.9 m-85 -133.69 139.07 46.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.371 . . . . 75.42 110.949 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.55 129.36 51.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 73.55 110.828 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.6 m -106.77 107.4 18.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 74.55 110.906 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.3 t -99.15 107.32 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 71.31 111.083 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.13 149.83 38.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.622 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.47 123.66 39.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 73.21 111.059 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pt -65.23 -23.87 34.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 72.01 111.179 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.92 -13.55 60.26 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.257 -0.429 . . . . 73.13 111.252 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -124.82 122.11 36.48 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.831 0.348 . . . . 73.41 110.93 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -70.74 -30.09 66.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.905 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -59.52 -45.1 92.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 73.44 110.959 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.9 m -57.53 -38.85 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.911 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 16.4 t80 -63.04 -29.5 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 74.03 110.817 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.34 -26.95 46.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 74.42 111.091 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.03 -34.42 71.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 73.41 110.965 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 24.8 mm -58.74 -28.08 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 74.41 110.918 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -73.37 -55.33 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 74.44 110.758 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -68.55 -29.07 67.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.43 111.127 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.401 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.6 m-85 -63.88 -47.81 79.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 71.12 110.975 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.403 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 1.8 ttp180 -62.22 -30.42 71.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 73.43 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.85 -31.38 72.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.395 . . . . 53.52 110.936 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -68.76 -34.77 76.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 74.5 111.071 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.415 HG21 ' CD1' ' A' ' 78' ' ' PHE . 40.9 mt -71.56 -41.57 72.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.2 111.117 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -32.94 63.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 75.32 110.966 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -71.58 -56.83 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 73.42 110.746 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.34 -59.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 72.52 111.088 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -61.86 -26.5 68.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.896 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.7 t0 62.82 44.99 5.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.97 0.414 . . . . 75.14 110.707 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.46 140.78 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 71.53 110.804 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -74.12 -41.97 60.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 74.33 111.106 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -80.55 88.43 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 74.52 111.003 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 m -126.68 152.91 75.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 72.13 111.18 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.98 108.24 2.27 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.562 2.175 . . . . 72.42 112.379 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.2 ptp -159.1 166.35 31.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 72.35 110.944 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.2 t -144.22 150.96 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.0 111.282 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.3 tp -115.48 114.41 24.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 74.54 110.65 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.91 146.64 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 74.33 111.269 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.5 82.89 0.31 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.917 -0.659 . . . . 54.12 112.294 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -57.51 171.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 73.41 111.095 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm 62.63 58.59 1.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 75.25 111.122 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.1 t -96.46 -21.78 17.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 73.45 110.943 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.02 -23.93 28.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.262 -0.426 . . . . 74.41 111.185 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.4 mt -50.06 163.76 0.14 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.444 -0.344 . . . . 75.45 111.113 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.78 24.51 11.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.04 111.362 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.64 72.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 73.3 111.221 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -93.53 134.07 36.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 74.44 110.852 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 15.6 p -97.76 -50.61 4.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 73.52 110.684 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.0 t -92.62 102.85 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.578 . . . . 74.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.58 161.39 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 73.23 111.011 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.7 p -59.14 -37.43 77.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.513 . . . . 70.22 111.09 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -57.2 -48.27 79.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.939 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -59.39 -42.84 92.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.039 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.41 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -67.46 -37.15 82.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 70.25 111.215 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -33.62 76.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 73.43 111.015 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.55 -45.85 88.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 75.12 111.007 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.425 HD23 ' CE2' ' A' ' 137' ' ' TYR . 1.1 tm? -68.63 -51.78 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.24 111.081 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.61 -44.07 89.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 73.12 111.145 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -58.78 -25.94 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 72.02 111.089 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.9 t -75.19 -30.28 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 71.31 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.425 ' CE2' HD23 ' A' ' 133' ' ' LEU . 21.7 m-85 -83.32 -22.25 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 74.22 111.054 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.1 15.33 62.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.692 -0.765 . . . . 73.12 112.622 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 21.1 pt -107.76 152.84 41.71 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.764 0.316 . . . . 74.52 111.288 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.22 152.88 75.65 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.556 2.171 . . . . 73.44 112.324 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -127.09 118.61 24.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 73.33 110.885 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.9 mp -118.5 150.02 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 75.14 110.991 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -113.71 130.64 56.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 71.15 110.789 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 34.7 p -142.3 175.06 10.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.91 0.386 . . . . 74.34 111.313 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.81 119.73 13.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 74.44 110.817 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.82 -18.92 65.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 70.45 111.488 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -83.73 -57.7 3.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.51 -0.314 . . . . 74.51 111.313 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 56.8 p -92.77 6.98 45.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 75.22 111.413 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 42.67 45.93 4.2 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.865 0.364 . . . . 75.4 111.396 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -83.13 122.47 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.4 111.135 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 52.44 23.22 12.74 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.886 -0.673 . . . . 62.04 113.045 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 3.8 t -59.59 -50.29 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-O 120.894 0.378 . . . . 55.43 110.831 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.401 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 4.1 mp0 -61.29 -31.91 71.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 73.05 110.851 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -56.22 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.995 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.47 74.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 73.34 111.23 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.8 -52.58 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 70.54 110.862 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 153' ' ' GLU . 15.6 m-85 -53.33 -32.51 49.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 74.11 111.109 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 7.4 m -58.64 -32.01 68.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 71.55 110.887 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.35 -34.16 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 75.35 110.9 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 5.3 t -67.03 -50.36 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.31 111.182 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.84 -38.17 78.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 73.31 110.927 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.01 -53.03 62.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 75.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 75.0 mt -60.01 -37.27 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.189 -0.46 . . . . 71.24 111.387 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -44.76 70.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 74.22 111.078 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -61.95 -38.75 89.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.885 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.227 -0.892 . . . . 75.33 110.915 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.521 " O2'" ' CZ ' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . 0.489 ' O ' ' O3G' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . 0.42 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.771 0.319 . . . . 73.14 111.169 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.52 149.86 49.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.729 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -107.63 123.66 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 64.55 110.878 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -111.12 106.36 15.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 75.03 111.044 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -89.36 93.04 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 71.15 110.846 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.8 mt -84.39 122.26 28.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 73.23 111.112 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.401 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 99.5 t -98.12 102.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 53.33 110.88 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -79.73 139.28 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 73.42 111.043 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -137.58 152.13 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 72.41 111.033 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 158.57 161.83 11.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 74.43 112.529 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.18 159.71 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 71.45 111.04 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.52 -20.41 55.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.695 -0.764 . . . . 41.55 112.755 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.79 46.63 1.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.673 -0.775 . . . . 74.23 112.783 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.9 m -118.46 -6.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.575 0.226 . . . . 73.04 111.608 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.06 40.67 97.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.627 -0.797 . . . . 40.2 112.41 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -71.04 -34.43 71.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.765 0.317 . . . . 74.21 110.861 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -32.33 64.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 62.11 111.007 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.87 -58.11 8.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 63.15 111.207 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -56.31 -32.45 64.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.481 . . . . 74.45 111.073 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m -70.35 -51.89 26.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 73.03 110.774 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.4 ' CG2' ' CE1' ' A' ' 27' ' ' HIS . 1.2 mm -58.01 -39.65 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 75.11 111.075 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -59.98 -41.47 92.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.389 . . . . 74.45 110.972 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -76.65 -11.07 59.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 73.44 111.28 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -103.09 -75.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.76 0.314 . . . . 73.05 111.319 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -90.83 -19.12 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.373 . . . . 63.14 111.644 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 69.99 66.77 0.23 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.858 0.361 . . . . 74.0 111.026 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.4 ' CE1' ' CG2' ' A' ' 21' ' ' ILE . 2.5 p-80 -176.26 140.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 73.23 110.832 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.526 ' CE1' " H2'" ' A' ' 219' ' ' GNP . 1.9 t80 -66.42 146.67 54.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 63.33 110.899 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 36.0 m -142.34 -178.12 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.15 111.124 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -127.75 -45.08 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 51.34 110.807 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.68 58.72 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.241 -0.436 . . . . 72.52 110.874 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -113.39 140.45 48.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 75.14 110.872 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.12 118.19 7.02 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 74.02 110.75 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.84 -39.46 8.4 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.371 2.047 . . . . 75.12 112.14 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.78 49.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.887 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.49 169.95 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 72.12 111.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -98.24 55.8 1.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.051 -0.522 . . . . 71.23 110.727 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 60.51 26.09 15.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 65.31 110.899 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 t -124.76 148.49 48.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 72.51 110.944 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -150.01 144.49 25.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 75.13 110.669 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.9 ptt85 -123.85 133.27 53.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 73.14 111.008 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -129.6 147.38 51.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 73.5 110.849 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -93.7 120.41 33.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.881 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.6 178.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 74.15 111.187 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.5 t -121.93 100.86 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 73.24 111.055 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.417 ' CD1' HG21 ' A' ' 160' ' ' VAL . 40.5 mt -123.47 137.75 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.07 29.96 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 64.04 110.848 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.33 28.19 66.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 75.44 112.487 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -143.66 114.09 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 63.44 110.861 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 79.9 m -56.89 129.61 42.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 70.54 110.843 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.3 m -151.6 146.79 26.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 61.43 111.03 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.26 142.33 32.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 75.22 110.506 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.2 mt -110.19 77.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.385 . . . . 72.03 111.172 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.09 102.04 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.2 110.657 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.6 mm -91.35 108.47 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.43 111.259 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.495 HD13 ' CG ' ' A' ' 71' ' ' TYR . 3.4 tm? -96.07 101.36 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 75.11 110.581 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.12 107.03 17.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 75.32 110.905 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 p -76.88 -173.81 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 74.5 110.795 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.89 122.47 29.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.32 111.099 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.92 -36.46 87.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.815 -0.707 . . . . 71.44 112.439 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -168.58 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.74 0.305 . . . . 75.22 110.759 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 63.74 117.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 62.22 110.862 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.07 112.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.947 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -146.41 109.73 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 75.41 110.811 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 p -118.69 -35.05 3.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 61.44 111.179 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.33 -63.07 1.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.382 -0.372 . . . . 74.31 111.261 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.8 ptp -74.88 -23.39 58.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.83 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -25.82 65.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 74.14 111.11 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -82.24 -35.44 28.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 72.33 111.102 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -27.26 67.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.417 -0.356 . . . . 72.44 111.001 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.495 ' CG ' HD13 ' A' ' 56' ' ' LEU . 18.0 m-85 -69.95 -44.76 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 74.02 110.875 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.1 mtt -60.7 -54.9 39.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.087 -0.506 . . . . 72.33 110.671 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -56.03 -22.39 27.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 75.21 111.279 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.6 p -101.7 -4.42 26.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.366 . . . . 72.41 111.462 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -99.1 127.3 9.21 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.591 -0.814 . . . . 75.02 112.749 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.63 -26.47 65.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 70.22 110.856 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.8 -165.16 11.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.856 -0.688 . . . . 64.21 112.444 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CD2' HG23 ' A' ' 100' ' ' ILE . 91.1 m-85 -151.6 141.32 21.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 74.01 111.017 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.95 118.77 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.03 110.766 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 64.6 m -92.68 110.86 22.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 73.1 111.054 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.6 t -100.31 106.65 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 73.01 110.929 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -121.95 141.18 51.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 75.32 110.883 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.19 123.75 31.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.981 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pt -66.03 -16.74 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 72.21 111.491 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.86 -34.47 26.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.812 0.339 . . . . 74.23 110.874 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -105.83 108.22 19.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 75.1 110.897 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.18 -26.98 63.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.94 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -55.92 22.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.615 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -39.52 28.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.84 -0.618 . . . . 75.31 110.879 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 17.0 t80 -61.62 -29.29 69.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 70.03 110.552 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.79 -28.7 55.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 73.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.46 -31.49 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 63.52 110.869 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.2 mm -60.44 -27.72 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 74.53 110.922 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -73.46 -55.34 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 71.01 110.772 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -65.91 -28.67 69.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 70.15 111.252 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.422 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.8 m-85 -58.65 -37.96 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 72.25 111.119 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.437 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -65.9 -35.61 81.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 74.34 110.775 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.89 -28.72 67.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 73.23 110.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -41.52 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 74.41 110.919 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.417 HG23 ' CD2' ' A' ' 78' ' ' PHE . 15.7 mt -66.11 -49.3 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 75.44 111.049 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -55.39 -32.38 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 63.4 111.072 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -58.86 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.816 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.0 t -59.35 -57.94 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.416 . . . . 75.43 110.988 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -61.61 -27.02 68.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 73.44 110.884 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.7 t70 63.02 46.94 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 72.23 110.739 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.6 148.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 72.23 110.966 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -77.21 -32.92 56.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 63.13 110.82 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.01 94.8 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 64.34 110.861 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.93 136.21 27.92 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-N 116.106 -0.497 . . . . 74.11 110.708 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -74.42 101.06 1.38 Allowed 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.794 2.329 . . . . 64.12 112.253 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.97 168.73 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.878 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.3 t -143.12 149.32 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 73.34 111.2 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 tp -107.48 117.47 34.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 75.34 110.666 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 4.6 t -97.21 161.09 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 74.14 111.295 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -122.18 75.87 0.35 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.837 -0.696 . . . . 73.21 112.338 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -56.03 158.39 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 75.12 111.121 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.3 mttt 57.34 69.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 74.22 110.979 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.6 t -103.18 -13.13 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 71.45 111.167 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -86.57 -29.27 22.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.764 0.316 . . . . 74.25 111.021 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.9 mt -55.03 155.06 4.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 73.54 110.945 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -110.26 35.18 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 64.2 111.342 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.01 71.39 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 51.24 111.28 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -95.72 137.54 34.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 71.35 110.869 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.5 p -103.16 -27.69 12.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 80.7 t -110.61 108.14 24.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.953 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.4 160.44 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.808 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 p -54.64 -31.56 57.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.152 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -60.56 -42.48 96.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 73.01 110.891 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -72.63 -39.91 66.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 73.31 111.103 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -70.96 -29.76 65.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 75.31 111.202 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.89 -29.82 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.406 . . . . 71.12 110.965 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -58.32 -40.62 82.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 74.25 110.981 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.13 -50.08 17.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.838 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.24 -44.1 92.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.132 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -56.56 -41.68 77.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 74.22 110.856 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -28.89 63.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.787 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.437 ' CD2' ' HD3' ' A' ' 97' ' ' ARG . 4.6 m-30 -79.85 -28.81 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 75.02 111.02 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.77 16.79 60.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 70.35 112.57 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.411 HG12 ' HB3' ' A' ' 137' ' ' TYR . 4.7 pt -110.11 157.08 38.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 75.24 111.472 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.32 154.78 61.12 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.584 2.189 . . . . 72.44 112.206 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -127.24 118.21 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.94 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.56 160.15 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 71.42 110.873 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -123.93 138.22 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.697 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 28.9 p -145.08 162.03 37.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 75.14 111.182 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.4 p -126.04 122.35 35.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 74.22 110.751 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.57 -21.62 48.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 74.24 111.516 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -85.06 -38.43 19.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.741 0.305 . . . . 73.52 111.209 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -102.08 -19.35 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 70.44 111.508 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 63.82 65.58 0.71 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.926 0.393 . . . . 73.44 110.666 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -124.58 106.97 10.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 74.34 111.047 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.15 2.63 87.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 74.31 112.918 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.7 t -52.67 -47.4 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.772 0.32 . . . . 61.34 111.417 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.04 -31.4 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 75.32 110.775 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -54.64 -54.57 39.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.066 -0.516 . . . . 60.53 111.037 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.26 -50.57 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 63.32 111.18 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -61.4 -49.77 75.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.894 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -59.04 -36.12 74.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 74.1 110.921 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 86.6 m -59.61 -41.62 90.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 73.33 110.826 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -39.87 87.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 73.31 110.594 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.417 HG21 ' CD1' ' A' ' 46' ' ' ILE . 19.8 t -59.34 -37.82 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 72.45 110.978 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -76.36 -38.57 55.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 74.4 110.878 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.41 -45.26 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.54 110.78 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.53 -57.11 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.952 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -51.5 -32.7 28.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 74.55 111.159 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.0 -37.93 89.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 74.23 110.862 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.168 -0.92 . . . . 75.34 110.877 -179.931 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.529 " H4'" ' O1A' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . 0.504 ' O ' ' O3G' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.972 0.415 . . . . 75.21 111.225 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.413 HG22 ' CE2' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -87.86 145.01 26.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.804 -0.635 . . . . 73.41 110.786 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -94.42 130.71 40.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 75.41 110.692 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.413 ' CE2' HG22 ' A' ' 2' ' ' THR . 21.1 m-85 -125.3 120.22 30.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.122 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.16 119.05 24.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.22 110.621 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.1 95.32 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.389 -0.369 . . . . 75.25 110.988 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.1 t -81.28 102.31 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.959 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.3 t -82.85 140.92 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.5 111.153 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.9 m -149.82 153.16 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 75.3 111.026 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.01 -85.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.561 -0.828 . . . . 71.45 112.621 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -178.91 -173.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 62.1 111.073 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.76 45.07 2.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.774 -0.726 . . . . 75.15 112.551 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.433 ' HA2' " O5'" ' A' ' 219' ' ' GNP . . . 165.4 41.99 0.02 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.773 -0.727 . . . . 71.23 112.474 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.6 m -117.91 -13.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.02 0.378 . . . . 75.12 112.02 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.18 25.82 42.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.516 -0.85 . . . . 74.34 112.283 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HE3' ' O ' ' A' ' 258' ' ' HOH . 16.4 pttt -58.61 -45.04 90.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.932 0.396 . . . . 75.12 110.828 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.514 ' HB3' ' H1 ' ' A' ' 258' ' ' HOH . 23.9 p -72.16 -34.66 68.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.917 -0.583 . . . . 72.35 110.891 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.431 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . . . -56.45 -61.37 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 73.24 111.206 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.42 HD12 ' CE2' ' A' ' 156' ' ' PHE . 2.8 pp -56.13 -27.16 52.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 73.24 111.015 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.1 m -67.91 -48.41 66.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 73.24 110.889 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.435 HG22 ' CE1' ' A' ' 27' ' ' HIS . 1.4 mp -70.5 -30.01 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.652 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -59.2 -37.75 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.54 110.854 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tp -76.68 -62.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 74.05 111.164 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.46 -48.36 80.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 72.15 110.964 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -112.61 -130.05 0.31 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.235 -0.439 . . . . 74.32 110.077 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 p30 175.92 40.19 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.093 0 O-C-N 122.063 -0.398 . . . . 71.43 110.882 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.435 ' CE1' HG22 ' A' ' 21' ' ' ILE . 12.7 p-80 -120.49 -11.71 9.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.273 -0.421 . . . . 64.54 111.564 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.431 ' CE1' ' HB3' ' A' ' 18' ' ' ALA . 87.2 t80 64.05 86.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 74.22 110.738 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.38 139.47 20.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 71.25 111.12 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -88.84 -56.69 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 74.34 110.732 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 252' ' ' HOH . 0.0 OUTLIER -179.91 69.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.253 -0.43 . . . . 74.22 110.96 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.18 140.43 25.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 75.51 110.699 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.07 116.74 6.75 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 65.55 110.828 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.54 74.33 4.31 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.585 2.19 . . . . 75.44 112.332 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.6 m 59.04 32.38 22.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 73.05 111.019 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 pt -110.95 176.06 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.51 111.126 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -105.77 27.46 8.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.96 -0.564 . . . . 75.4 111.101 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.97 26.44 15.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 64.31 110.957 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 t -107.99 146.97 31.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 73.31 111.046 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -149.95 128.33 12.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 73.54 110.681 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.59 133.67 49.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 74.12 111.123 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -127.95 144.33 51.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.897 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -96.15 118.59 33.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.973 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.7 m -131.18 171.88 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 73.22 111.212 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.0 p -128.29 102.47 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 64.43 111.019 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mt -117.64 137.82 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 73.43 110.808 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.86 30.46 14.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 75.15 110.721 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.74 33.9 88.5 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.74 -0.743 . . . . 64.33 112.437 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -146.33 102.26 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 74.33 111.045 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.3 m -57.57 128.41 36.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 74.31 111.01 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 58.5 m -149.6 147.37 28.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 74.31 110.912 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.32 149.78 33.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 74.3 110.851 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.7 mt -123.72 75.43 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 74.12 110.929 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.33 97.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.4 110.878 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.6 mm -80.76 109.68 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 73.43 111.102 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -101.91 104.31 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 71.4 110.738 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -109.29 134.22 52.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.756 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.417 HG22 ' CD2' ' A' ' 71' ' ' TYR . 12.8 p -99.7 -173.74 2.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.865 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.01 146.1 27.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.187 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.68 -26.04 21.2 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.815 -0.707 . . . . 61.0 112.484 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -107.94 -177.27 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 62.13 110.835 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 63.66 166.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.846 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.42 128.44 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 73.22 110.942 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -155.94 105.01 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 71.41 110.841 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.39 -38.47 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 75.24 111.015 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.12 -55.98 22.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 74.42 111.282 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mtm -76.54 -23.89 53.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 72.35 111.085 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -40.06 81.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.402 -0.363 . . . . 71.24 110.907 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -74.48 -31.67 62.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 74.02 110.82 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -66.05 -38.89 89.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.05 110.869 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.417 ' CD2' HG22 ' A' ' 58' ' ' THR . 23.2 m-85 -59.54 -39.6 84.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.124 -0.489 . . . . 74.33 111.056 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mtt -71.97 -46.47 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 64.22 110.699 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.411 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 63.6 mtp180 -67.13 -14.33 62.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.932 -0.576 . . . . 73.13 111.431 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.1 p -102.84 -23.0 13.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.762 0.315 . . . . 73.5 111.016 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.56 152.47 21.15 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.676 -0.773 . . . . 64.24 112.888 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -95.52 -15.55 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.613 0.244 . . . . 74.31 111.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.46 -175.55 19.54 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.649 -0.786 . . . . 71.45 112.382 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.416 ' CE1' HG21 ' A' ' 100' ' ' ILE . 73.1 m-85 -152.81 132.34 12.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 74.12 111.139 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.51 111.48 21.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.776 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.5 m -93.7 124.03 37.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.823 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.8 146.13 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 73.31 111.11 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.22 140.42 25.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.094 -0.503 . . . . 70.35 110.94 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.42 126.64 35.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 73.22 111.022 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.1 pt -62.11 -29.98 47.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 71.15 111.161 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -79.02 -24.51 43.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 61.31 111.101 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -110.61 108.26 18.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.405 -0.361 . . . . 65.12 110.744 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 m -70.08 -24.21 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.42 111.083 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -54.22 -41.54 68.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.379 -0.373 . . . . 71.54 111.051 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 m -58.82 -46.12 88.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 74.54 110.847 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.402 ' CE1' HD13 ' A' ' 133' ' ' LEU . 36.0 t80 -54.64 -24.28 20.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 75.21 111.144 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -79.79 -45.76 18.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.326 -0.397 . . . . 73.32 111.143 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -69.12 -33.61 73.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 70.43 111.129 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.8 mm -59.68 -26.12 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 116.416 -0.356 . . . . 73.51 111.029 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -76.04 -55.26 5.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 75.43 110.793 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -67.1 -33.95 76.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 75.41 111.28 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.19 -48.98 79.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 73.52 110.995 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.424 ' HD2' ' CE1' ' A' ' 137' ' ' TYR . 2.7 ttt180 -54.99 -31.6 61.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 72.14 110.937 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -66.87 -34.95 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 71.33 110.743 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -38.27 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 72.12 110.694 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.416 HG21 ' CE1' ' A' ' 78' ' ' PHE . 32.3 mt -64.54 -47.1 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 64.44 110.837 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -62.21 -27.49 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.34 111.071 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -72.46 -58.94 2.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 74.3 110.749 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.411 ' CG1' ' CG ' ' A' ' 73' ' ' ARG . 48.1 t -62.55 -51.27 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 74.44 110.971 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -64.87 -26.24 68.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 75.22 110.813 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 t0 64.96 40.27 5.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 74.34 110.773 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t -157.02 146.23 20.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 45.3 110.78 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -86.03 -26.32 25.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 64.13 111.112 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -105.9 89.67 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.406 -0.361 . . . . 75.1 111.068 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.4 m -116.52 152.58 48.38 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 74.24 111.011 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.93 100.95 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.556 2.171 . . . . 73.43 112.222 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 12.7 ptp -147.99 166.17 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 73.41 111.052 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.3 t -143.7 145.22 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 73.23 111.082 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.2 tp -106.35 103.62 13.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.704 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 20.3 t -96.81 147.2 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.916 0.389 . . . . 73.42 111.241 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.56 96.36 0.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 71.11 112.437 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -73.29 165.56 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 73.14 110.84 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.9 mttt 61.17 60.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 75.22 110.852 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 23.9 t -97.86 -15.58 20.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 74.13 111.102 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -93.31 20.59 6.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.59 -0.277 . . . . 74.25 111.212 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.0 mt -93.62 174.54 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.722 0.296 . . . . 65.03 110.784 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.79 26.88 9.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 74.24 111.024 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.55 76.93 1.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 64.22 111.272 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 107.61 19.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 62.33 110.589 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 33.5 p -83.4 -48.83 9.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.837 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.5 t -83.74 102.86 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 71.55 111.009 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -58.26 159.66 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 65.45 110.903 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.8 t -56.12 -43.64 78.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 54.02 111.056 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -55.72 -37.33 68.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.958 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -69.94 -36.45 75.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.988 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 141' ' ' TYR . . . -73.29 -41.81 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 73.33 111.129 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -29.31 69.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.41 -44.87 72.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 71.33 111.042 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.402 HD13 ' CE1' ' A' ' 90' ' ' PHE . 20.8 mt -72.08 -47.65 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 72.24 111.025 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.35 81.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 54.31 111.052 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -76.18 -34.52 59.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.844 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.6 t -74.76 -31.42 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 64.33 110.63 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.424 ' CE1' ' HD2' ' A' ' 97' ' ' ARG . 21.6 m-85 -89.4 -20.43 23.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 74.21 111.033 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.01 17.63 64.8 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.709 -0.758 . . . . 53.34 112.541 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.4 pt -112.38 156.55 42.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.328 . . . . 73.22 111.487 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -69.84 161.99 43.83 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.64 2.227 . . . . 72.5 112.524 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 130' ' ' ALA . 18.1 t80 -131.4 102.57 6.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 73.05 110.583 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.34 143.47 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 75.52 111.2 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -108.7 132.2 54.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.844 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 19.9 p -149.82 171.48 16.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 71.44 111.182 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.18 128.35 25.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.001 -0.545 . . . . 70.53 110.594 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.406 ' HB3' ' N7 ' ' A' ' 219' ' ' GNP . . . -73.0 -14.28 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.14 111.545 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -83.81 -66.12 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.298 . . . . 74.43 111.242 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 47.6 p -77.98 -18.71 55.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 75.33 111.273 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 64.25 60.28 0.97 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.951 0.405 . . . . 72.4 110.709 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -112.43 115.55 28.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 75.3 110.952 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 75.23 9.02 84.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.837 -0.697 . . . . 73.3 112.997 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.83 -54.27 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 120.814 0.34 . . . . 74.0 111.214 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.34 -31.34 70.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.859 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -55.9 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 74.32 110.961 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.74 -48.16 75.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 64.03 111.091 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.42 ' CE2' HD12 ' A' ' 19' ' ' LEU . 10.4 m-85 -58.88 -52.99 63.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 74.4 110.944 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -55.05 -27.48 44.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 73.42 111.108 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 3.7 m -57.4 -40.25 77.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.359 -0.382 . . . . 64.05 110.888 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -43.92 95.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 73.4 110.623 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 43.7 t -52.53 -49.53 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.993 -0.549 . . . . 71.14 111.27 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -34.5 77.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 74.41 110.645 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -49.48 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 75.41 110.818 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.415 HG23 HD13 ' A' ' 163' ' ' ILE . 43.9 mt -59.95 -38.95 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.322 -0.399 . . . . 74.43 111.041 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -51.77 -28.14 14.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.848 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -118.58 78.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 75.32 110.9 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.246 -0.883 . . . . 74.14 110.756 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.844 ' PA ' " H3'" ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . 0.497 ' O ' ' HA ' ' A' ' 31' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . 0.514 ' H1 ' ' HB3' ' A' ' 17' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.878 0.37 . . . . 72.34 111.413 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.42 HG22 ' CE2' ' A' ' 4' ' ' TYR . 1.0 OUTLIER -95.04 137.51 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 75.12 110.731 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.23 120.9 34.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.497 . . . . 71.45 111.001 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.42 ' CE2' HG22 ' A' ' 2' ' ' THR . 44.4 m-85 -111.42 157.43 20.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 74.34 110.911 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.86 101.12 7.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.796 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.9 mt -91.28 112.57 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 74.2 110.94 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.6 t -94.06 102.13 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 64.23 111.332 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.88 140.09 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 74.12 110.843 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.33 -178.67 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 70.33 111.219 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.78 165.57 13.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.854 -0.688 . . . . 43.15 112.553 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.16 141.18 51.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.701 0.286 . . . . 75.31 111.085 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.43 -24.85 11.78 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.889 -0.672 . . . . 74.12 112.764 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.03 49.65 1.0 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 73.4 112.493 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.34 -9.37 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.575 0.226 . . . . 74.22 111.606 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.77 5.36 78.04 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.706 -0.759 . . . . 72.01 112.767 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.555 ' HG2' ' H1 ' ' A' ' 252' ' ' HOH . 3.0 pttt -59.06 -36.26 74.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.879 0.371 . . . . 75.33 110.774 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -58.83 -38.91 79.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 62.53 110.637 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.96 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 64.4 111.28 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.9 mt -58.1 -49.55 76.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 65.41 111.071 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.4 m -58.69 -58.88 6.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 75.44 110.991 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.06 -28.86 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.35 111.015 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -73.3 -42.02 62.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.39 -0.368 . . . . 73.23 110.912 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -76.31 -8.8 57.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.41 111.348 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.7 mm -114.61 -68.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.834 0.35 . . . . 64.24 111.229 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -84.34 -25.96 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 62.12 111.249 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 67.28 68.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.064 0.459 . . . . 65.53 110.908 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -176.48 139.32 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.941 -0.572 . . . . 71.55 110.567 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.514 ' CE1' " O2'" ' A' ' 219' ' ' GNP . 6.6 t80 -62.34 134.71 56.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.245 -0.434 . . . . 72.32 110.706 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 t -59.72 151.31 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.973 0.416 . . . . 75.53 111.057 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -165.09 -44.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.891 -0.595 . . . . 71.24 110.703 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.22 67.93 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.827 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -134.51 162.85 31.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 75.11 110.809 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -57.62 119.96 37.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 75.1 110.938 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.79 -49.96 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.368 2.045 . . . . 75.1 112.709 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.6 m -121.52 112.84 18.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 74.15 111.035 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -160.45 178.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 74.32 111.16 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -121.82 8.79 9.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.756 -0.656 . . . . 74.11 111.425 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.95 63.69 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.938 0.399 . . . . 72.11 110.543 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.3 p -54.06 147.39 12.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.021 -0.536 . . . . 71.33 111.083 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -97.1 162.52 13.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 73.15 110.876 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -145.07 112.48 6.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 74.43 110.935 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -126.06 132.71 51.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 73.24 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -87.66 136.0 33.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.923 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -139.17 176.1 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 74.24 111.098 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.96 100.84 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 74.14 111.152 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.6 mm -90.41 103.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 72.21 111.069 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 60.43 34.9 20.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.43 110.935 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.39 -35.54 4.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 74.14 112.617 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -80.49 123.31 27.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 60.32 110.859 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.9 m -78.24 127.06 31.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 63.35 110.911 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 m -142.21 146.24 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 75.35 110.765 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.35 149.01 33.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 72.22 110.828 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.7 mt -125.47 91.81 3.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 75.44 110.927 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -85.96 97.95 10.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 73.34 110.847 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.1 mm -83.45 110.2 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.108 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.3 tp -83.61 129.05 34.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.809 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -106.0 101.26 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 73.34 110.665 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.7 p -75.43 -176.86 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 73.12 110.986 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.95 154.7 27.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.175 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.25 -9.57 9.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 63.03 112.836 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -139.05 29.34 2.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.778 0.323 . . . . 74.24 111.264 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.33 -81.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.402 -0.363 . . . . 75.13 111.102 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -78.26 81.81 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.408 -0.36 . . . . 74.24 110.924 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -138.73 149.57 45.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.895 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 t 63.19 -78.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.505 . . . . 52.54 111.093 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.64 -59.35 4.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 72.52 111.2 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -76.82 -33.38 57.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 71.02 110.842 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -60.67 -29.46 69.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.925 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -27.96 61.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 73.51 111.177 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -69.76 -33.09 71.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.323 -0.399 . . . . 74.44 110.957 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -72.27 -36.08 68.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 73.51 111.051 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.9 mtt -58.35 -36.05 72.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.307 -0.406 . . . . 74.12 110.94 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -75.59 -16.02 60.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 71.13 111.351 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.5 p -107.0 -18.68 13.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.51 -0.313 . . . . 72.32 111.313 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.88 144.46 17.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 72.33 112.604 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.02 -17.29 29.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.658 0.266 . . . . 73.32 111.165 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.05 -178.84 27.15 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.755 -0.736 . . . . 71.31 112.395 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -148.63 144.51 27.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.868 0.366 . . . . 72.12 111.231 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.81 121.42 37.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 75.53 110.742 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 82.9 m -95.96 112.14 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 60.24 110.965 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.2 t -99.62 111.0 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 74.23 111.027 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -116.08 159.56 21.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 71.24 110.631 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.18 124.27 50.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.99 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pt -65.39 -28.08 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.916 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -82.64 -8.64 59.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.984 -0.553 . . . . 73.22 111.113 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -123.66 106.67 10.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.752 0.311 . . . . 75.41 110.711 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.2 m -64.1 -29.93 71.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 70.12 111.065 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.18 -47.65 84.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 72.22 111.068 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.4 p -55.18 -45.43 75.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 75.34 111.157 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 28.2 t80 -59.33 -37.36 77.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 74.15 110.933 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.43 -27.72 61.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 72.31 111.109 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.439 ' HA ' ' NE2' ' A' ' 95' ' ' GLN . 67.3 m-20 -76.35 -45.4 32.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 62.35 111.144 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 24.0 mm -47.72 -29.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 74.02 111.005 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -64.2 -54.04 39.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.547 . . . . 72.14 110.868 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.498 ' HG2' ' N ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -68.33 -29.85 68.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 74.14 110.958 -179.437 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.498 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 8.6 m-85 -59.54 -29.52 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.946 -0.57 . . . . 73.54 110.904 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -73.24 -38.45 66.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.384 . . . . 75.24 110.38 179.654 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.57 -27.48 49.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 75.34 110.864 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -76.5 -33.15 58.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 75.12 110.809 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.8 mt -73.02 -49.16 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.924 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -55.48 -38.62 69.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 75.03 111.075 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -59.11 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 75.44 111.024 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.13 -52.91 56.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 71.2 110.875 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -62.7 -24.66 67.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 74.01 110.764 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.98 35.8 7.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.42 . . . . 73.54 110.706 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.1 t -158.83 140.75 13.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 75.31 110.718 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -74.52 -42.71 58.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 70.31 111.196 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -90.01 82.94 6.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 72.34 111.174 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 25.1 m -105.91 152.44 40.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.347 -0.388 . . . . 72.24 110.881 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.92 109.87 2.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.492 2.128 . . . . 74.31 112.321 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.3 ptp -157.04 171.11 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 75.43 111.035 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.0 t -143.05 150.51 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 71.32 111.112 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.9 tp -114.09 112.1 22.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.725 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 20.9 t -105.15 142.29 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 75.23 111.385 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.45 82.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.881 -0.676 . . . . 70.21 112.364 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -63.71 176.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 74.41 111.031 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.61 75.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.2 110.822 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 2.6 t -105.1 -25.37 12.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 75.54 111.182 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -99.37 15.66 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.411 -0.359 . . . . 63.23 111.481 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.05 -20.52 66.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.741 0.305 . . . . 72.25 111.114 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 59.64 19.42 8.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.37 . . . . 74.44 111.284 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -150.67 49.13 0.87 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.816 0.341 . . . . 74.42 111.084 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -66.41 158.91 28.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 75.11 111.055 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.0 p -128.34 -47.58 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 71.21 110.709 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.6 t -90.76 102.33 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 63.34 111.013 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.08 162.88 1.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.02 110.933 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.4 m -58.56 -43.39 89.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.545 . . . . 73.12 111.197 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -55.4 -50.46 69.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.416 . . . . 73.24 111.086 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -57.41 -41.81 81.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 74.33 111.014 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.42 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -70.83 -29.78 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 65.51 111.128 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -29.65 61.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.958 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.56 -44.33 80.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 72.42 110.925 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 16.0 tp -71.7 -49.23 41.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 74.2 110.878 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.62 82.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 72.44 111.153 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 75.15 110.869 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.7 t -70.76 -33.32 70.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.619 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.441 ' CD2' ' HD3' ' A' ' 97' ' ' ARG . 4.1 m-30 -74.63 -26.71 60.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 75.42 110.989 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.82 15.02 62.02 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.807 -0.711 . . . . 71.02 112.703 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.4 pt -113.54 156.62 43.16 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.765 0.317 . . . . 74.43 111.406 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.05 163.29 39.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.535 2.157 . . . . 73.02 112.138 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -131.56 104.93 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 73.31 110.805 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.9 mp -108.47 149.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 71.34 111.047 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -118.51 132.07 56.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 62.32 110.707 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 10.0 p -141.23 -178.1 5.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 64.55 111.017 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.4 p -147.52 123.83 10.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.008 -0.542 . . . . 72.01 110.657 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.87 -33.29 68.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.338 -0.392 . . . . 74.12 111.316 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -78.72 -49.71 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 75.11 111.147 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -23.43 37.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.391 . . . . 75.12 111.231 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 61.46 65.77 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.92 0.391 . . . . 74.01 110.617 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -122.1 124.9 44.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 64.32 111.035 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 54.08 24.45 28.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.904 -0.665 . . . . 71.41 112.818 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.64 -55.39 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 74.35 111.056 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.418 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 9.7 mt-10 -64.29 -30.03 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 64.14 110.947 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -58.86 -33.25 70.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.255 -0.43 . . . . 73.33 110.923 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -71.7 -39.26 70.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 64.54 111.218 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.424 ' CD2' HD13 ' A' ' 23' ' ' LEU . 41.7 m-85 -72.83 -49.49 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.52 111.248 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.8 m-85 -53.65 -30.74 44.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 73.51 111.202 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.3 m -58.34 -40.94 83.52 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.917 0.389 . . . . 73.43 110.84 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.4 -40.58 94.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 75.11 110.522 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.7 t -51.74 -47.78 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.953 -0.567 . . . . 75.43 111.134 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -67.98 -28.7 67.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.765 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -72.77 -52.23 15.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 74.3 110.824 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 29.2 mt -57.59 -48.32 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.291 -0.413 . . . . 71.23 111.127 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -57.05 -38.14 72.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.802 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 75.32 110.795 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.266 -0.874 . . . . 63.13 110.88 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.526 ' N3B' ' O ' ' A' ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . 0.555 ' H1 ' ' HG2' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . 0.526 ' O ' ' N3B' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 tpp . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.918 0.39 . . . . 74.0 111.221 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.423 HG23 ' CZ ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -83.87 149.75 26.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 75.05 110.696 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -104.45 117.71 34.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 72.51 110.749 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.423 ' CZ ' HG23 ' A' ' 2' ' ' THR . 47.6 m-85 -109.1 108.81 19.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 74.43 111.135 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.08 91.95 9.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.722 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.41 ' CD1' ' CD1' ' A' ' 55' ' ' ILE . 10.7 mt -88.47 112.23 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.032 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.417 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 94.8 t -87.8 133.84 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 120.987 0.422 . . . . 74.32 111.007 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 t -116.65 117.06 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 115.811 -0.631 . . . . 74.41 111.134 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.8 m -94.11 167.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 73.14 110.987 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.411 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -120.23 -170.05 14.18 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 73.42 112.57 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 178.36 37.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 72.14 111.345 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.73 135.3 0.01 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.837 -0.697 . . . . 73.01 112.867 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.23 22.95 63.67 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.854 -0.689 . . . . 71.12 112.911 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.456 ' N ' ' O1A' ' A' ' 219' ' ' GNP . 13.1 m -123.15 102.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 74.44 111.249 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.74 60.29 2.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.848 -0.691 . . . . 74.31 112.536 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -19.05 65.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 75.3 110.941 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -80.01 -35.72 36.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.909 0.385 . . . . 71.11 110.817 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.49 -54.91 40.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.939 -0.573 . . . . 75.25 111.085 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.403 HD12 ' CE2' ' A' ' 156' ' ' PHE . 3.7 pp -59.63 -26.58 65.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 72.14 111.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 m -65.43 -52.39 53.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 74.22 111.199 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.409 HG21 ' CE1' ' A' ' 27' ' ' HIS . 1.2 mp -60.86 -28.55 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.1 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -55.31 -40.81 71.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 74.11 110.873 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 tp -76.71 -39.62 51.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.921 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.2 mm -61.78 -55.04 26.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.349 -0.387 . . . . 74.34 111.196 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -125.84 -98.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 74.22 110.766 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.5 p30 168.35 68.95 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.874 0.368 . . . . 72.21 110.932 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.443 ' CE1' HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -173.69 144.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 74.51 110.717 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.433 ' CE1' " O2'" ' A' ' 219' ' ' GNP . 1.3 t80 -67.17 109.25 2.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 75.02 110.868 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.443 HG23 ' CE1' ' A' ' 27' ' ' HIS . 0.5 OUTLIER -86.08 155.73 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.14 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -113.76 -57.95 2.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.519 . . . . 75.34 110.822 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -179.11 65.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 73.33 110.979 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.0 141.39 52.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.304 -0.407 . . . . 73.45 110.719 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -142.14 117.28 6.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 74.43 110.956 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.12 -35.31 2.45 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.509 2.139 . . . . 75.14 112.027 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.7 40.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.867 -0.606 . . . . 72.31 110.49 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.456 ' CD1' ' CE2' ' A' ' 40' ' ' TYR . 17.4 pt -139.38 -173.9 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.822 -0.626 . . . . 75.54 110.903 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -117.45 -49.66 2.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.123 0.487 . . . . 75.44 111.198 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -177.53 35.03 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.46 -0.791 . . . . 74.33 110.672 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 t -137.86 157.39 46.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 72.0 111.345 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.456 ' CE2' ' CD1' ' A' ' 36' ' ' ILE . 7.4 m-85 -149.17 168.42 23.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.965 -0.562 . . . . 74.54 110.601 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 ptt85 -143.42 139.54 29.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 74.22 110.788 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.29 138.77 46.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.832 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -100.72 114.73 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 75.11 110.96 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.6 m -132.4 -174.65 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.862 -0.608 . . . . 74.21 110.708 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.2 p -127.85 109.03 19.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 74.43 111.15 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mm -97.62 115.37 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.887 -0.597 . . . . 64.23 111.002 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t70 65.22 42.18 4.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 75.41 111.052 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.66 21.7 69.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 72.23 112.769 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -127.8 97.14 4.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.832 0.349 . . . . 73.41 110.751 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.5 m -52.11 132.64 33.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.54 111.006 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 62.3 m -154.42 157.1 37.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 74.24 110.826 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.82 140.14 29.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.839 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.2 mt -122.43 90.95 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 73.23 110.943 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.24 91.38 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 71.1 110.806 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.41 ' CD1' ' CD1' ' A' ' 6' ' ' LEU . 10.0 mm -78.88 114.59 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 75.53 110.975 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.52 123.35 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 75.25 110.765 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -118.07 92.62 3.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 73.5 110.832 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.4 p -75.44 -175.97 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.842 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.79 160.11 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 71.12 111.243 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.65 -76.2 1.08 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.777 -0.725 . . . . 54.13 112.528 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -124.5 112.86 17.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 64.41 110.983 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.18 165.96 21.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.849 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -91.03 59.47 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.126 0.489 . . . . 73.43 110.925 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -121.85 86.11 2.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.818 -0.628 . . . . 70.34 110.854 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.55 -28.18 18.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 63.21 110.939 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.0 -54.27 46.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 72.45 111.192 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.3 mtm -67.84 -31.01 70.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 74.35 110.854 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -39.57 82.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 75.32 110.805 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.96 -23.61 62.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 72.32 110.661 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -78.46 -48.01 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.813 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -72.95 -48.86 33.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.915 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.9 mtt -56.64 -33.1 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 75.03 110.841 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.403 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 72.3 mtp180 -81.12 -21.57 39.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 75.23 111.018 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.3 p -103.6 12.8 34.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 63.25 111.131 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.09 134.14 12.05 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.468 -0.872 . . . . 74.41 112.728 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -80.9 -17.06 51.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.654 0.264 . . . . 74.52 111.127 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.55 167.74 35.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 73.01 112.435 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.429 ' CE2' HG21 ' A' ' 100' ' ' ILE . 99.0 m-85 -132.14 138.04 47.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 73.34 111.079 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.25 123.31 47.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.679 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 88.1 m -96.22 105.73 17.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 71.35 110.97 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.5 t -102.04 111.39 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 72.45 111.072 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' HD13 ' A' ' 113' ' ' LEU . 8.5 p90 -124.14 144.59 49.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.791 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.13 123.69 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.979 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 pt -61.71 -26.02 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.23 111.303 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -76.46 -28.82 56.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 72.31 111.098 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -108.38 111.11 22.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 75.11 110.909 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.9 m -72.23 -24.29 61.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.182 -0.463 . . . . 73.25 111.062 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -59.25 -37.41 77.51 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.896 0.379 . . . . 75.52 110.589 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.76 -33.48 70.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 72.34 110.515 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.66 -31.6 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 75.44 110.638 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.12 -31.66 55.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 70.23 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.86 -31.8 71.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.89 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.8 mm -59.43 -30.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 75.43 110.695 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -72.49 -55.42 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 75.41 111.088 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -28.81 68.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 53.22 111.027 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.411 ' CE2' ' O ' ' A' ' 10' ' ' GLY . 5.3 m-85 -69.84 -48.23 59.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 70.3 110.627 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.53 -31.71 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 73.02 111.006 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.81 -38.72 92.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 74.33 111.069 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.32 -41.87 90.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 74.02 111.016 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.429 HG21 ' CE2' ' A' ' 78' ' ' PHE . 25.8 mt -58.85 -46.75 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 72.04 110.95 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -55.91 -31.4 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 74.24 111.071 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.31 -58.94 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.765 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.403 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 44.4 t -59.58 -58.64 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 73.03 110.937 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -59.27 -24.81 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.897 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 64.69 42.5 4.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 74.33 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.5 p -161.98 159.24 26.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 74.44 110.753 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -93.0 -24.11 18.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.44 111.159 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -108.89 85.66 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 64.33 111.064 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 14.5 m -108.5 151.2 41.48 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 73.42 110.943 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -68.52 101.12 0.72 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.521 2.147 . . . . 74.45 111.998 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 8.7 ptp -150.15 166.52 29.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 73.52 111.262 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 49.6 t -141.84 147.43 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.881 -0.599 . . . . 73.14 110.956 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 82' ' ' PHE . 6.7 tp -106.44 101.51 10.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 72.54 110.927 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 20.4 t -99.4 143.5 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 70.42 111.113 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -118.46 95.44 0.63 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 71.24 112.477 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -69.06 174.82 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 72.44 110.833 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.416 ' HA ' ' O6 ' ' A' ' 219' ' ' GNP . 3.8 mttt 60.22 61.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 75.41 110.876 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.6 t -97.18 -27.45 14.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 63.41 110.941 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -74.39 -26.06 59.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 72.44 111.171 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.7 mt -52.01 145.19 10.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.37 -0.377 . . . . 74.4 111.053 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.86 29.32 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 71.45 111.196 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.43 74.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 64.23 111.026 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.84 114.12 26.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.538 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.4 p -86.36 -50.67 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 74.52 110.798 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.69 96.74 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.876 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -55.17 156.11 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 62.31 110.968 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.7 t -54.58 -24.39 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 61.44 111.221 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -59.85 -52.41 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.395 . . . . 73.12 110.948 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -59.61 -40.36 87.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.42 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.09 66.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 63.3 111.183 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.86 -44.35 32.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.23 110.969 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -59.09 -33.73 71.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 71.13 110.935 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.2 tp -81.21 -51.45 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.796 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.56 -46.45 86.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.422 . . . . 74.43 111.167 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -59.09 -28.43 66.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 74.22 111.001 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.3 m -74.29 -40.74 62.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 70.11 110.766 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -70.29 -21.58 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 71.21 111.073 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.66 17.34 64.03 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.667 -0.778 . . . . 62.44 112.477 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.1 pt -110.46 156.77 39.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.714 0.292 . . . . 73.22 111.322 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.88 149.47 66.17 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.592 2.194 . . . . 73.4 112.484 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -120.58 117.68 28.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.644 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.2 mp -124.2 147.81 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.43 111.089 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -116.82 135.84 53.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.813 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 27.3 p -146.23 179.88 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 71.44 111.084 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.2 118.13 8.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.025 -0.534 . . . . 75.14 110.73 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.8 -27.2 68.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 75.2 111.353 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -75.87 -65.86 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.429 -0.35 . . . . 74.35 111.162 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 p -73.84 -20.61 60.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.409 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 63.7 66.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.938 0.399 . . . . 72.22 110.716 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.52 125.02 48.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 75.01 111.031 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 59.07 18.18 40.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.824 -0.703 . . . . 73.24 112.938 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.5 t -54.8 -55.31 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.912 0.386 . . . . 75.05 111.105 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -61.08 -35.62 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 74.25 110.711 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.06 -54.1 17.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 73.22 111.06 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.7 -33.15 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.968 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.403 ' CE2' HD12 ' A' ' 19' ' ' LEU . 5.6 m-85 -68.03 -55.58 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 73.33 110.835 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -57.15 -29.52 63.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 74.42 111.006 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 69.9 m -58.95 -45.97 89.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 64.02 110.856 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -43.33 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 64.15 111.057 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.4 t -56.39 -51.79 59.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 75.45 111.205 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -57.05 -31.72 65.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 72.33 111.124 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.63 -39.87 76.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 75.03 110.828 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 44.5 mt -69.07 -41.28 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 72.3 111.255 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -54.59 23.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.451 . . . . 72.32 111.145 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -67.12 -30.19 70.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 75.25 110.963 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.081 -0.961 . . . . 72.21 110.741 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.475 ' O3G' ' O1B' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.986 0.422 . . . . 73.31 111.353 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.5 147.64 26.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.793 -0.64 . . . . 64.1 110.784 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.53 124.58 48.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 70.14 110.744 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -115.58 121.28 42.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 75.4 111.024 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.06 93.75 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 74.03 110.728 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.55 95.29 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.21 111.062 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.7 t -82.53 102.17 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 74.13 111.058 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.27 138.66 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 72.25 111.179 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -124.93 169.5 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.023 -0.535 . . . . 63.54 110.901 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.75 156.46 27.99 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.565 -0.826 . . . . 65.22 112.7 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.77 20.37 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.725 0.298 . . . . 72.31 111.222 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.51 39.26 22.47 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.686 -0.769 . . . . 70.15 112.891 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.34 43.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.484 -0.865 . . . . 63.52 113.074 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -111.73 -28.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 72.41 111.269 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.69 21.75 10.97 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.777 -0.725 . . . . 74.11 112.741 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -29.81 68.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 73.34 111.098 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.532 ' HB2' ' H2 ' ' A' ' 264' ' ' HOH . 1.7 p -77.87 -34.03 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 65.52 111.106 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.29 -28.43 67.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 74.41 111.359 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -75.09 -40.53 59.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 75.41 110.979 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.426 HG23 ' CD1' ' A' ' 40' ' ' TYR . 96.2 m -57.77 -57.58 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 75.44 110.874 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.415 HG21 ' CE1' ' A' ' 27' ' ' HIS . 6.1 mt -59.96 -39.4 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.828 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.83 -35.88 75.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.69 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -71.19 -25.6 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 64.0 110.942 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mp -106.83 -79.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 70.21 111.02 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -60.94 -34.81 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.42 111.344 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 67.91 36.03 3.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.851 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.415 ' CE1' HG21 ' A' ' 21' ' ' ILE . 1.8 p-80 -136.28 145.68 45.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.29 -0.414 . . . . 74.2 110.975 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -80.86 102.96 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.673 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -64.92 144.73 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.377 . . . . 74.12 111.164 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.58 -60.04 2.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 63.13 110.819 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -178.95 134.29 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 75.21 110.642 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.423 ' OH ' ' O ' ' A' ' 264' ' ' HOH . 3.5 p90 -147.2 172.68 13.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.86 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -71.63 138.06 83.2 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 64.21 110.85 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.87 -45.53 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.461 2.108 . . . . 75.44 112.499 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.63 78.45 9.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 70.34 111.037 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.63 -15.49 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 75.05 112.023 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 60.12 40.42 18.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.892 0.377 . . . . 74.1 110.874 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -94.86 48.4 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 55.11 110.799 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.43 163.29 1.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 61.51 110.942 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CD1' HG23 ' A' ' 20' ' ' THR . 4.2 m-85 -129.08 126.2 38.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.874 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -117.16 114.67 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.928 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -110.26 146.75 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 75.33 110.949 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -100.77 121.94 42.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.737 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.3 m -137.1 -177.19 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 63.4 111.126 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.3 t -121.91 100.91 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 75.43 111.009 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.1 mm -84.63 100.72 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.992 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 63.31 57.55 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 74.35 110.873 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.86 27.28 61.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 75.33 112.582 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -134.16 104.7 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 65.54 110.901 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -58.99 122.32 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 73.12 110.961 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.2 m -148.5 145.46 27.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 62.13 110.883 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.59 150.93 32.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 72.55 110.837 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.0 mt -127.31 73.64 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.752 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.0 99.43 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 75.34 110.925 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.8 mm -79.51 108.31 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 75.35 110.975 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' CD1' ' CG2' ' A' ' 58' ' ' THR . 3.2 tm? -89.32 102.45 15.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 70.05 110.925 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -104.56 107.96 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 71.11 110.848 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.406 ' CG2' ' CD1' ' A' ' 56' ' ' LEU . 17.2 p -89.23 -175.98 4.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.979 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.42 150.23 35.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 72.32 111.033 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.33 -80.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.671 -0.776 . . . . 53.25 112.441 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.88 124.93 10.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 75.33 111.154 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -178.86 40.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.82 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 59.81 80.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.799 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -157.59 83.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 74.44 110.875 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.0 p -102.58 -29.68 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.99 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.06 -42.14 84.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 54.51 111.178 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.409 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 9.5 mmt -78.1 -36.86 47.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.887 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -34.32 70.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.97 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.14 -34.1 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.522 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -64.64 -43.74 92.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 62.02 110.738 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.409 ' CD2' ' O ' ' A' ' 67' ' ' MET . 14.8 m-85 -72.38 -44.2 62.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 71.55 111.027 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.4 mmt -59.17 -50.0 75.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.031 0.443 . . . . 75.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.423 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 52.2 mtp180 -61.42 -35.05 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.857 -0.61 . . . . 73.54 111.163 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.7 p -85.92 -16.2 39.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 63.13 111.402 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.96 137.04 17.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.622 -0.799 . . . . 71.04 112.779 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -89.72 -12.47 39.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.602 0.239 . . . . 74.25 110.93 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.83 178.35 35.06 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.878 -0.677 . . . . 72.2 112.237 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -148.67 148.34 29.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.309 . . . . 73.1 111.068 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.38 113.72 21.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.22 110.869 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 86.6 m -90.01 106.76 18.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.312 -0.404 . . . . 72.41 111.041 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.0 t -102.02 120.48 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 64.24 111.059 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CB ' HG13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -122.52 144.1 49.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 75.34 110.922 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.39 124.56 38.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.406 . . . . 74.2 111.176 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.6 pt -64.87 -28.82 45.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.91 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.92 9.72 21.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.863 -0.608 . . . . 71.14 111.357 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -138.26 94.18 2.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.831 0.348 . . . . 74.35 110.898 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -59.27 -24.58 63.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.35 111.089 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -44.83 72.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.346 -0.388 . . . . 73.04 110.746 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -56.97 -43.8 81.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.984 0.421 . . . . 61.41 110.693 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.405 ' CE1' HD23 ' A' ' 133' ' ' LEU . 10.2 t80 -59.56 -25.3 64.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 74.41 110.841 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -77.71 -35.23 52.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 64.11 110.991 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.409 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 22.2 m-20 -75.23 -34.06 61.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 73.43 111.072 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.414 HG13 ' CB ' ' A' ' 82' ' ' PHE . 20.9 mm -59.77 -29.39 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.281 -0.418 . . . . 74.42 110.945 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -73.95 -55.45 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.872 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.66 -28.52 68.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.15 111.212 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 2.2 m-85 -58.12 -35.19 71.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 75.24 111.011 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -61.03 -39.35 89.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 70.11 110.822 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -57.38 -30.04 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -37.1 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.802 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.4 mt -70.06 -50.6 46.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.1 111.138 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -50.73 -40.23 53.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.955 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -62.74 -59.08 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.41 111.14 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.423 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 61.2 t -57.64 -63.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 62.44 110.982 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -59.58 -24.07 63.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 75.14 110.727 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.1 t0 60.55 43.25 13.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.693 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 m -148.33 145.87 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 64.23 111.01 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -83.76 -28.34 28.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 74.22 111.039 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -103.54 78.42 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 73.24 111.115 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.406 ' CG1' ' HD2' ' A' ' 110' ' ' PRO . 41.4 t -90.75 136.04 28.32 Favored Pre-proline 0 N--CA 1.446 -0.649 0 CA-C-O 121.066 0.46 . . . . 73.22 111.024 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.406 ' HD2' ' CG1' ' A' ' 109' ' ' VAL . 60.4 Cg_endo -74.66 101.04 1.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 123.071 2.514 . . . . 72.51 112.232 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.27 175.91 10.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 74.11 111.021 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.0 t -141.62 152.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 75.32 111.376 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -109.06 132.89 53.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 74.44 110.713 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.0 m -133.26 157.57 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.41 . . . . 73.41 111.342 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.14 78.28 0.28 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 73.32 112.491 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.45 165.65 0.23 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.791 0.329 . . . . 72.52 111.053 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.646 ' NZ ' H5'1 ' A' ' 219' ' ' GNP . 14.5 mtmm 60.35 59.63 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.872 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.6 t -99.05 7.27 46.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 64.42 111.388 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.439 ' OD1' ' O6 ' ' A' ' 219' ' ' GNP . 8.6 p-10 -108.84 -23.42 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.735 0.302 . . . . 74.32 111.022 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.7 mt -52.1 171.17 0.05 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 74.24 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.49 25.59 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.392 -0.367 . . . . 71.34 111.42 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.86 59.32 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.36 . . . . 64.31 111.154 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -80.99 154.89 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 74.55 110.944 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.7 p -118.05 -50.38 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 75.0 110.662 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.7 t -87.76 103.87 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 73.33 110.894 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.03 157.45 1.76 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 62.23 111.127 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -49.36 76.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 71.03 111.287 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -34.94 60.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 75.44 111.115 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -65.3 -34.58 78.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 71.04 110.668 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 141' ' ' TYR . . . -78.15 -33.41 50.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.043 -0.526 . . . . 74.31 111.163 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -31.99 72.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 74.35 110.942 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -61.01 -36.85 80.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 75.44 110.865 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.405 HD23 ' CE1' ' A' ' 90' ' ' PHE . 21.5 tp -73.17 -51.48 17.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.882 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.22 99.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 74.31 111.096 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -60.83 -30.62 70.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 74.31 110.863 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.1 t -74.13 -32.4 63.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.661 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -81.17 -15.67 55.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 74.42 111.264 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.37 15.46 64.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.614 -0.803 . . . . 73.44 112.586 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 19.2 pt -110.73 155.12 42.79 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.669 0.271 . . . . 74.45 111.312 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.11 161.19 46.89 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.576 2.184 . . . . 71.33 112.388 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 130' ' ' ALA . 89.1 t80 -124.04 115.99 22.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.898 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.3 mp -114.66 160.33 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 73.23 111.089 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -124.08 119.77 30.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.422 . . . . 72.41 110.917 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 70.4 p -134.93 170.81 15.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 75.52 111.127 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.6 p -139.81 115.2 9.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 72.43 110.772 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.51 -23.11 66.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 71.21 111.323 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -83.42 -65.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.452 -0.34 . . . . 72.02 111.136 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 p -71.24 -21.73 62.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 62.24 111.354 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.25 68.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.861 0.363 . . . . 73.42 110.646 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.08 119.4 33.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.981 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 58.26 19.21 38.61 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.826 -0.702 . . . . 55.24 112.91 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.5 m -55.67 -36.0 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.747 0.308 . . . . 71.31 111.205 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -74.45 -34.26 63.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.89 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -40.23 76.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 71.1 110.792 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.63 75.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 61.31 111.155 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -66.08 -48.32 71.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 75.24 111.145 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -57.58 -37.03 72.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.367 -0.379 . . . . 75.43 111.107 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 25.6 m -55.75 -34.72 65.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.295 -0.411 . . . . 75.2 111.087 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -38.53 91.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 71.24 110.801 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 5.0 t -63.23 -39.92 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 63.12 111.065 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -68.82 -33.31 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 75.55 110.951 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.43 -50.79 34.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.03 111.009 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.64 -42.39 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.367 -0.379 . . . . 74.32 111.204 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -60.92 -33.91 73.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 75.41 110.964 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -72.04 -38.03 69.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 74.51 110.869 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 75.24 110.863 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.737 ' PA ' " H3'" ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . 0.632 ' H2 ' ' PA ' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . 0.532 ' H2 ' ' HB2' ' A' ' 17' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.794 0.331 . . . . 74.41 111.265 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.94 149.91 21.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 65.02 110.744 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -103.83 114.89 29.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.81 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -105.67 140.16 39.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.12 111.085 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -115.64 92.36 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.785 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.4 mt -83.97 124.72 31.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 72.22 111.223 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.25 107.61 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 74.42 110.97 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.2 t -80.93 143.08 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 75.32 111.244 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.7 m -146.42 136.9 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.01 111.049 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.23 144.37 8.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 61.3 112.526 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.27 98.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.325 . . . . 61.52 111.051 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.66 -117.95 12.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 61.14 112.474 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O1B' ' A' ' 219' ' ' GNP . . . -64.47 -84.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 51.33 112.396 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.9 m 40.97 31.49 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.778 0.323 . . . . 64.14 111.765 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.41 34.32 33.9 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.808 -0.71 . . . . 62.42 112.765 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -75.56 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 75.14 110.988 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -30.14 71.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 54.45 110.943 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.24 -43.14 74.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 72.21 111.269 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mt -54.22 -50.54 66.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 74.31 111.203 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -58.94 -54.0 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.02 111.027 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.439 HG21 ' CE1' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -59.16 -41.1 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 72.13 111.087 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -56.67 -35.64 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 72.43 110.95 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.1 tp -76.71 -24.87 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 70.21 111.443 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.4 mm -109.65 -76.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.622 -0.263 . . . . 74.43 111.528 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -20.4 65.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 65.21 111.026 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.8 p30 45.39 29.68 0.61 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.318 -0.401 . . . . 75.14 111.623 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CE1' HG21 ' A' ' 21' ' ' ILE . 1.3 p-80 -118.91 18.38 13.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 75.5 111.075 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.404 ' CE1' ' HB3' ' A' ' 146' ' ' ALA . 10.5 t80 63.39 -80.32 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.494 . . . . 74.41 111.042 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER 169.24 130.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.801 0.334 . . . . 73.43 110.566 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.8 t70 179.74 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 71.1 110.514 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.92 58.89 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 70.54 110.689 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.422 ' OH ' ' O ' ' A' ' 258' ' ' HOH . 0.1 OUTLIER -131.03 169.9 15.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 75.31 110.947 -179.847 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -80.89 151.34 70.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 70.12 111.078 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.92 -165.82 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.651 2.234 . . . . 74.15 112.104 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.55 110.04 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.367 -0.378 . . . . 75.43 110.917 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.5 -174.59 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 73.11 111.183 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -101.69 49.39 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.801 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -111.61 52.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 73.14 110.83 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.6 p -54.96 153.37 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 74.11 110.982 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -111.58 174.47 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 73.22 111.004 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -140.25 138.0 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 75.35 110.765 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.83 144.47 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 74.11 111.008 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -108.79 118.95 38.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.821 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.15 -179.43 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.13 111.178 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.08 102.51 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 73.21 111.07 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.5 mt -118.27 137.42 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.31 111.079 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.79 33.03 21.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 74.33 110.961 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.7 28.16 65.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.677 -0.773 . . . . 62.53 112.471 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -142.14 112.6 7.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 72.25 110.897 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.4 m -58.67 128.42 37.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 74.32 110.874 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.7 m -148.74 150.1 32.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 71.12 111.036 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.41 142.27 28.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 72.33 110.777 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.6 mt -114.21 101.83 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 74.03 110.988 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -91.07 92.98 8.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 73.34 110.703 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mm -83.13 108.96 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 63.32 111.157 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.75 129.28 44.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 55.22 110.389 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -115.16 102.64 10.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 62.42 111.01 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.8 p -87.25 -175.21 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 73.14 110.748 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.73 159.15 32.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 62.1 111.005 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.08 56.44 5.07 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.74 -0.743 . . . . 73.1 112.529 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 46.26 34.79 2.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.778 0.323 . . . . 75.43 111.268 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.63 -55.74 8.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 64.51 110.951 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -172.0 43.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 72.2 110.953 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -150.06 87.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 71.13 110.831 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.4 t -104.35 -26.04 12.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 71.33 111.098 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.09 -52.39 35.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.38 -0.373 . . . . 74.23 111.157 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.7 mtm -75.01 -25.26 58.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 75.45 110.739 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.5 ttp85 -58.0 -37.76 74.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 74.21 110.687 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.31 -25.73 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 71.24 110.743 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -71.69 -31.42 66.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 74.23 111.007 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -74.04 -31.09 62.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.394 . . . . 74.22 111.04 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 mtt -62.49 -51.75 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 71.4 110.915 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.408 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 70.7 mtp180 -62.93 -20.0 64.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.532 . . . . 74.34 111.117 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.4 p -104.24 1.65 30.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 74.25 111.432 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.34 140.55 15.23 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.666 -0.778 . . . . 72.33 112.732 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -84.08 -20.97 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 65.35 110.818 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.67 177.2 32.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.823 -0.703 . . . . 62.31 112.26 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -141.65 136.85 31.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.355 . . . . 75.44 110.969 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.64 104.74 12.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 73.23 110.908 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.3 m -89.66 115.33 26.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 72.55 110.718 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.61 146.12 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 74.53 111.127 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.15 139.5 33.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.506 . . . . 75.43 110.701 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.45 124.43 38.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 75.41 111.233 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pt -61.77 -18.45 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.399 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.55 17.58 22.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.479 -0.328 . . . . 72.33 111.141 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.59 87.26 2.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.866 0.365 . . . . 75.52 110.7 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -55.18 -24.67 28.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 74.15 111.236 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -72.92 -32.49 65.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.394 -0.366 . . . . 70.44 110.735 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.9 t -70.42 -38.44 74.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 55.12 110.902 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 8.4 t80 -56.5 -36.83 69.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.764 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.8 -27.16 60.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 74.42 111.006 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.41 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 0.4 OUTLIER -69.27 -32.11 71.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 75.21 110.952 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.0 mm -60.16 -30.23 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 73.21 111.137 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -72.82 -55.51 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.843 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -65.77 -28.69 69.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 74.53 111.163 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.1 m-85 -58.03 -36.37 72.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.355 -0.384 . . . . 74.42 111.003 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.419 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -68.93 -32.59 72.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 74.02 110.736 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.9 -30.05 69.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.884 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -73.3 -41.63 63.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.426 . . . . 74.12 110.904 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.1 mt -69.09 -46.37 78.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.963 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -57.88 -29.03 64.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 75.22 111.016 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -58.69 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 74.43 110.797 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.408 ' CG1' ' CG ' ' A' ' 73' ' ' ARG . 26.2 t -60.74 -58.1 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 75.11 111.057 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -63.46 -23.41 67.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 74.41 111.181 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 61.36 44.71 9.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.005 0.431 . . . . 63.21 110.828 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t -152.44 136.88 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 74.34 110.815 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -32.2 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 75.35 110.884 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.69 94.86 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.029 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.1 m -113.19 153.35 45.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 74.14 110.987 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.94 107.99 2.21 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.636 2.224 . . . . 73.12 112.375 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 12.4 ptp -152.53 173.93 14.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.931 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.7 t -145.47 153.59 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 75.41 111.17 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.9 tp -114.61 106.31 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 75.21 110.923 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.83 150.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.33 111.257 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.36 97.86 0.79 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 45.21 112.355 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -75.51 161.58 29.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 73.33 110.999 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.25 69.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.949 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.4 t -116.68 24.52 11.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 73.22 111.015 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -111.12 -55.78 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 74.43 110.835 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -54.42 158.16 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 71.42 110.939 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -108.9 43.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 71.43 111.163 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.69 56.36 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 63.54 111.114 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -96.32 160.23 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.422 . . . . 73.21 111.056 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.8 p -114.85 -37.08 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 71.23 110.768 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 88.3 t -101.48 141.88 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 64.51 110.781 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -94.62 158.18 15.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.777 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -17.81 64.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 75.41 111.22 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -61.71 -60.64 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.526 -0.306 . . . . 74.24 110.979 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -62.93 -42.92 99.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 62.5 110.962 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.425 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -58.52 -32.6 68.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.025 -0.534 . . . . 73.4 111.175 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -34.93 68.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.915 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.59 -43.87 93.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 72.22 110.867 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -66.05 -51.53 57.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 73.3 111.044 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.25 -43.76 93.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 75.52 111.125 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -57.89 -41.47 82.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 71.31 110.845 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.2 t -68.14 -29.59 68.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.768 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.419 ' CD2' ' HD3' ' A' ' 97' ' ' ARG . 4.0 m-30 -73.47 -24.01 60.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 75.52 111.103 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.98 14.77 62.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.675 -0.774 . . . . 72.53 112.647 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.2 pt -113.51 155.26 45.05 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.692 0.282 . . . . 74.11 111.357 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.05 150.13 53.82 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.544 2.162 . . . . 71.25 112.361 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -122.67 107.54 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.723 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.0 mp -109.33 156.86 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 73.21 111.046 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -119.85 130.42 54.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.813 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 29.4 p -138.35 173.78 11.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 73.22 111.025 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.4 p -140.51 116.2 10.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 71.4 110.748 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.404 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . . . -71.03 -23.69 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 75.31 111.29 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -82.72 -56.56 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.406 -0.361 . . . . 75.31 111.154 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.15 -21.06 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 74.22 111.419 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 66.13 69.5 0.44 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.875 0.369 . . . . 75.44 110.83 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.27 119.79 33.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 71.34 110.911 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 54.67 27.88 44.19 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.865 -0.683 . . . . 65.2 112.572 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.6 t -57.37 -55.46 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 72.03 111.166 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.416 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 14.0 mt-10 -67.27 -26.66 66.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 73.53 110.966 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -42.7 80.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 74.21 110.954 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -67.56 -40.79 84.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 63.24 111.015 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -66.02 -50.09 65.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.849 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.416 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.2 m-85 -55.45 -32.53 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 72.52 110.984 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 18.1 m -58.62 -37.89 76.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 70.25 110.919 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.7 -41.59 95.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 74.1 110.881 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.5 t -56.88 -41.7 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 63.32 110.986 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -69.2 -33.93 74.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 72.34 110.698 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.19 -49.98 57.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 74.23 110.721 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.66 -49.34 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.141 -0.481 . . . . 64.24 111.165 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -47.87 -47.87 31.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.956 -0.565 . . . . 75.24 111.2 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -75.83 -30.43 58.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.375 . . . . 53.41 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.216 -0.897 . . . . 74.42 110.879 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.714 " H4'" ' O1A' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . 0.422 ' O ' ' OH ' ' A' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.867 0.365 . . . . 63.54 111.3 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.412 HG23 ' CZ ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -79.92 149.77 30.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.739 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.55 123.17 47.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.864 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.412 ' CZ ' HG23 ' A' ' 2' ' ' THR . 34.8 m-85 -111.33 160.82 16.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.064 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -127.79 94.95 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.924 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.25 109.87 16.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.92 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.0 t -93.74 102.19 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.31 111.262 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.3 t -96.8 121.29 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.34 111.067 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.7 m -98.17 174.29 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 75.32 111.129 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -106.7 -177.41 23.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.635 -0.793 . . . . 60.13 112.491 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.62 30.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 74.34 111.063 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.22 -86.61 0.59 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 74.23 112.59 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.46 78.0 0.3 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.681 -0.771 . . . . 52.44 112.629 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.691 ' O ' H5'1 ' A' ' 219' ' ' GNP . 32.6 m -142.96 -178.16 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 75.23 111.314 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -120.55 47.46 1.02 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 64.02 112.578 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.7 79.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.732 0.301 . . . . 72.2 110.754 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -71.1 -43.01 68.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 75.25 110.824 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.82 97.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 70.52 111.235 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.5 mt -56.6 -33.57 66.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 73.21 111.041 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.6 m -74.4 -57.33 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 73.2 111.123 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.428 HG21 ' CE1' ' A' ' 27' ' ' HIS . 34.8 mm -53.26 -33.05 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.424 . . . . 75.4 111.349 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.41 -47.98 83.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 75.21 110.723 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.0 tp -76.78 -11.47 59.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 72.14 111.321 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.2 mm -99.74 -73.82 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 111.646 0.239 . . . . 72.44 111.646 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -103.07 9.15 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.891 0.33 . . . . 73.21 111.891 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.9 p30 41.79 78.17 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.788 0.328 . . . . 73.44 111.561 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.428 ' CE1' HG21 ' A' ' 21' ' ' ILE . 5.3 p80 -176.6 144.88 0.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 73.53 110.828 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.534 ' HZ ' HO2' ' A' ' 219' ' ' GNP . 6.0 t80 -70.87 118.26 13.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.514 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.404 HG21 ' CD1' ' A' ' 32' ' ' TYR . 2.3 p -52.66 150.95 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 74.34 111.345 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -168.83 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.35 110.812 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -102.39 78.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 72.11 110.894 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.404 ' CD1' HG21 ' A' ' 29' ' ' VAL . 50.7 p90 -134.97 177.4 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.34 110.916 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.58 149.09 37.94 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 74.34 110.88 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.37 114.31 3.6 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.601 2.201 . . . . 74.04 112.316 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.2 t 60.86 105.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.894 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -145.24 178.72 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 73.13 111.167 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -129.17 23.45 5.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.591 . . . . 73.55 111.197 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -81.64 58.54 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.008 0.433 . . . . 72.44 110.471 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 p -54.13 -178.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.03 -0.532 . . . . 64.21 111.241 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -145.87 167.33 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 73.32 110.958 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -144.63 163.4 34.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.701 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -155.39 146.86 22.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.31 -0.404 . . . . 75.12 110.979 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -104.17 116.33 32.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.074 -0.512 . . . . 55.41 110.443 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -131.46 178.98 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.228 -0.442 . . . . 74.2 111.328 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.62 100.91 8.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 74.34 111.017 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.4 mm -78.16 98.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.03 111.017 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 t0 59.76 44.95 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.961 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.43 19.59 71.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.827 -0.701 . . . . 73.23 112.648 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -123.19 97.74 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 73.33 110.842 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.6 m -58.58 120.16 8.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 73.4 110.881 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.8 m -150.95 146.35 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 75.22 110.839 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.55 153.47 31.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 65.45 110.857 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.0 mt -133.75 86.85 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.5 110.644 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.16 96.94 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 74.05 111.052 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.3 mm -80.59 108.23 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 62.51 110.907 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.16 119.63 32.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.716 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -107.36 100.05 9.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.52 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.7 p -81.26 -174.44 4.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.2 151.18 41.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.33 111.067 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.3 -53.0 49.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.785 -0.721 . . . . 60.13 112.507 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -103.73 30.23 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.321 . . . . 75.42 110.921 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 65.65 -74.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 75.4 111.083 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 47.49 28.73 1.21 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.813 0.34 . . . . 74.11 111.297 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -174.5 86.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.31 110.945 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -29.38 61.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 75.53 110.855 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.88 -48.45 81.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 75.25 111.161 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 11.7 mmt -70.4 -31.18 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 72.24 110.872 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -37.81 77.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 75.45 110.841 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -72.5 -24.65 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 71.03 110.767 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -78.16 -43.31 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 74.55 110.858 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -78.42 -48.45 15.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 74.34 111.058 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.4 mtt -55.07 -52.79 62.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.357 -0.383 . . . . 71.34 110.918 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -57.99 -22.61 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 74.02 111.253 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.7 p -102.23 -6.7 22.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.354 -0.384 . . . . 61.51 111.512 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.21 142.73 17.63 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.542 -0.837 . . . . 73.55 112.779 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -99.72 -6.8 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.592 0.234 . . . . 71.55 111.237 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.71 142.53 7.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.793 -0.717 . . . . 73.03 112.435 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -115.52 149.16 38.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 65.45 110.982 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.47 117.16 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.886 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.1 m -86.98 117.74 25.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 75.43 110.787 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -107.24 114.44 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.2 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.422 ' CE1' ' HA2' ' A' ' 115' ' ' GLY . 0.3 OUTLIER -132.32 141.28 48.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.533 179.546 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.71 125.54 37.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 64.25 111.182 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.1 pt -56.53 -31.7 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.12 110.943 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.7 -25.61 59.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 73.01 110.955 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -109.75 106.84 16.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.265 -0.425 . . . . 74.31 110.931 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 m -69.13 -27.52 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.44 110.936 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -55.0 -35.32 64.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 74.34 111.0 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -64.29 -51.31 64.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 62.54 110.771 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.411 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 31.3 t80 -55.69 -29.76 59.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 74.13 110.868 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -75.25 -36.81 61.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.44 110.934 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.21 -32.62 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.967 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.7 mm -61.23 -27.37 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.367 -0.378 . . . . 75.44 110.794 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -74.36 -55.5 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.32 110.728 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -66.79 -29.98 70.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.072 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 10' ' ' GLY . 1.8 m-85 -58.6 -42.69 88.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 73.15 110.891 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.43 ' HD3' ' CE2' ' A' ' 137' ' ' TYR . 0.3 OUTLIER -59.71 -30.44 68.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 74.41 111.012 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -61.79 -27.18 68.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 73.3 111.23 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.14 -39.57 23.07 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.752 0.31 . . . . 74.13 110.833 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.2 mt -57.51 -41.17 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.357 -0.383 . . . . 72.51 111.018 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -56.64 -41.69 77.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.446 -0.343 . . . . 74.12 110.868 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -60.27 -58.77 7.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 72.43 110.91 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -56.36 -64.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 72.24 111.171 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -58.99 -24.41 62.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 72.22 110.941 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 61.19 44.99 9.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 75.03 110.851 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 t -165.43 143.99 6.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 72.43 110.997 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.91 -52.26 8.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 64.21 110.898 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -80.44 84.74 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 65.44 110.933 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.4 m -116.26 154.05 48.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 64.43 111.127 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.43 107.28 2.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.557 2.171 . . . . 72.53 112.23 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.5 mtm -138.64 172.99 12.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 71.33 110.892 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.9 t -150.91 155.57 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 64.01 111.079 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.2 tp -131.91 103.19 6.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 72.35 110.893 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.7 t -103.26 134.0 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 64.1 111.064 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.422 ' HA2' ' CE1' ' A' ' 82' ' ' PHE . . . -93.72 78.57 1.03 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 62.1 112.475 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -59.49 -179.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 74.14 110.849 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.7 mttt 61.15 57.78 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.906 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.44 -1.45 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 65.25 111.406 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -77.78 -60.76 2.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.739 0.304 . . . . 74.34 110.679 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -51.41 160.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.05 111.2 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -109.52 45.18 1.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 72.33 111.053 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.41 76.65 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 64.34 111.113 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -91.13 137.17 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.849 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.0 p -105.0 -30.09 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 74.31 110.689 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 91.7 t -115.07 100.98 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.008 -0.542 . . . . 74.14 110.926 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.61 155.32 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 74.22 110.919 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.3 p -55.13 -27.48 45.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 54.51 111.098 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -58.95 -48.3 82.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.56 -43.9 95.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.93 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.34 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 62.03 111.183 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.06 -31.28 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 73.25 110.888 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.94 -38.27 81.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 71.54 110.958 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.1 tp -79.82 -51.43 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.941 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.83 86.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 70.22 111.165 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -57.72 -40.74 80.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 72.42 110.819 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.1 t -76.55 -31.16 57.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 65.22 110.606 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 3.2 m-30 -71.15 -22.33 62.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 74.12 111.108 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.08 18.51 62.83 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.749 -0.739 . . . . 73.41 112.329 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.0 pt -113.52 157.35 41.62 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.693 0.283 . . . . 74.35 111.443 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.67 156.58 53.33 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.527 2.151 . . . . 71.23 112.375 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -123.07 116.6 23.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 64.21 110.829 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 mp -119.64 154.32 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 61.25 110.999 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -122.57 128.97 51.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 75.13 110.861 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 21.9 p -147.86 177.41 9.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 73.44 111.07 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.73 118.39 11.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 74.11 110.761 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.42 -18.97 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 73.51 111.496 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.405 ' HB2' ' C6 ' ' A' ' 219' ' ' GNP . 0.9 OUTLIER -86.06 -58.87 2.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.718 0.294 . . . . 75.5 111.197 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 149' ' ' ARG . 24.7 p -90.98 12.62 19.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 74.21 111.621 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 148' ' ' THR . 1.5 ptp85 28.75 64.9 0.11 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.67 0.388 . . . . 75.32 112.0 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -108.1 101.0 10.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 74.11 110.984 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.27 16.29 72.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.713 -0.756 . . . . 75.12 112.868 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' A' ' 149' ' ' ARG . 91.4 t -58.48 -56.01 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 120.845 0.355 . . . . 75.11 111.097 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 22.8 mt-10 -54.33 -27.44 35.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.886 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.02 -49.86 63.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 74.42 110.912 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.58 -41.32 73.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.216 -0.447 . . . . 71.13 111.165 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -68.15 -50.87 51.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 73.3 110.872 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 153' ' ' GLU . 17.0 m-85 -56.84 -31.14 64.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 75.53 110.848 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 16.4 m -58.27 -39.63 79.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 74.32 110.949 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -43.04 99.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 75.25 110.765 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.8 t -58.0 -34.81 49.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.272 -0.422 . . . . 73.11 110.982 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -72.07 -37.58 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 75.2 110.733 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.32 -44.17 65.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.847 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 53.2 mt -59.94 -47.39 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 116.094 -0.503 . . . . 75.41 111.124 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -54.21 -34.65 61.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 74.12 111.116 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -55.28 -33.81 63.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.364 -0.38 . . . . 71.31 111.057 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.168 -0.92 . . . . 70.51 110.919 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.704 ' O2A' ' O1G' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.763 0.316 . . . . 72.5 111.18 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.03 149.67 23.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 75.14 110.892 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -107.0 109.25 21.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 72.24 110.857 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -99.15 134.95 41.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.942 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -109.05 99.61 8.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 75.25 110.781 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 mt -97.78 127.16 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.26 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.442 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 87.2 t -109.91 102.12 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.035 -0.53 . . . . 73.04 110.721 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.83 149.63 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 72.25 111.318 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -144.99 177.24 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 74.33 110.985 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.52 -172.72 22.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.578 -0.82 . . . . 62.52 112.536 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.36 157.51 35.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 75.42 111.075 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.49 -24.42 17.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.848 -0.691 . . . . 44.31 112.739 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.463 ' HA2' ' O1A' ' A' ' 219' ' ' GNP . . . -125.17 83.66 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 74.42 112.682 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.0 m -139.27 15.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.677 0.275 . . . . 73.22 111.593 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.607 ' HA2' " H2'" ' A' ' 219' ' ' GNP . . . 48.95 30.7 9.58 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.912 -0.661 . . . . 75.14 112.889 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.42 -44.21 68.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 74.32 110.822 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -22.44 64.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 73.01 111.022 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.534 ' CB ' HO2' ' A' ' 219' ' ' GNP . . . -76.21 -21.67 56.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 65.33 111.501 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.7 OUTLIER -78.75 -29.45 45.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.493 -0.321 . . . . 71.1 111.258 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.422 HG23 ' CD1' ' A' ' 40' ' ' TYR . 0.9 OUTLIER -72.59 -29.07 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.491 -0.322 . . . . 63.1 110.82 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.03 -41.04 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.399 -0.364 . . . . 72.14 110.381 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -58.0 -48.62 79.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 63.2 110.598 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.54 -56.75 15.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.406 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.5 mm -53.56 -62.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 75.23 110.87 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.424 ' NE2' ' CE1' ' A' ' 27' ' ' HIS . 9.4 pt20 -116.15 -112.34 0.34 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.956 -0.565 . . . . 72.43 110.589 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 3.1 m-20 166.68 44.13 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.936 0.398 . . . . 71.5 110.575 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.424 ' CE1' ' NE2' ' A' ' 25' ' ' GLN . 7.3 p-80 -119.53 -18.88 8.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 75.5 111.753 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.9 t80 62.45 100.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 71.11 110.426 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 p -79.92 143.42 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 63.43 111.372 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -77.1 -60.3 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 75.42 110.783 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.52 68.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.32 110.809 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -144.27 137.55 27.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 75.11 110.984 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.11 117.13 6.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.818 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.61 74.06 4.44 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.493 2.129 . . . . 74.33 112.279 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.5 m 58.73 29.23 18.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 60.52 110.896 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 pt -104.96 168.28 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.037 0.446 . . . . 74.43 111.161 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -99.59 24.37 8.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.836 -0.62 . . . . 73.01 111.124 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 56.52 24.55 8.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 75.2 111.376 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 t -103.18 143.78 32.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.452 -0.34 . . . . 61.14 110.689 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.422 ' CD1' HG23 ' A' ' 20' ' ' THR . 12.8 m-85 -143.29 164.63 29.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 73.21 111.114 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -127.19 137.31 52.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 74.31 110.71 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.41 142.02 51.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.55 111.0 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -107.82 118.21 36.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 75.03 110.646 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -141.82 -178.44 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 75.43 111.278 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.0 t -122.93 100.75 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 75.42 111.033 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.6 mm -83.75 102.78 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.879 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t0 63.16 51.83 2.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.997 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.11 24.6 70.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 63.05 112.634 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -131.98 103.73 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 71.44 110.858 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.2 m -59.25 120.54 9.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 71.32 110.793 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 66.8 m -142.36 146.87 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.12 110.942 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.81 143.37 29.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 73.22 110.923 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.1 mt -119.68 97.24 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 73.54 110.943 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.53 95.2 9.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 63.02 110.797 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.6 mm -88.86 111.86 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 64.4 111.173 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -105.97 114.95 29.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 74.15 110.74 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -106.41 101.43 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.35 110.771 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.3 p -75.51 -173.77 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 63.23 110.877 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.95 126.4 30.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 74.52 111.166 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.59 -28.15 61.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.855 -0.688 . . . . 63.42 112.435 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -94.73 -170.76 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.695 0.283 . . . . 62.33 110.839 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.96 171.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 75.52 110.841 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -118.07 58.49 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.093 0.473 . . . . 74.44 111.041 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -84.7 116.24 23.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.81 -0.632 . . . . 74.34 110.824 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.56 -31.0 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 73.21 111.021 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.57 -51.54 68.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 70.34 111.14 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.96 -33.42 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 73.45 110.838 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -37.99 79.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 74.15 110.699 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.0 -28.28 65.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 74.51 110.348 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -76.02 -45.33 34.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.978 -0.555 . . . . 73.31 111.104 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -75.54 -48.98 20.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 63.3 111.064 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.6 mtt -54.39 -53.29 56.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.999 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.4 -21.76 51.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 75.3 111.184 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.8 p -102.76 -3.66 26.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.378 . . . . 74.42 111.585 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.23 129.04 9.54 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.547 -0.835 . . . . 73.43 112.688 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.67 -26.73 66.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.723 0.297 . . . . 73.42 110.847 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.22 -173.96 22.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.821 -0.704 . . . . 75.42 112.341 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.442 ' CD1' ' HB ' ' A' ' 7' ' ' VAL . 84.0 m-85 -146.44 134.83 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 74.43 111.123 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.95 122.3 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 71.45 110.642 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 61.4 m -97.04 109.04 21.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.984 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.4 t -102.41 110.27 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 74.31 111.006 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.417 ' CD1' HD13 ' A' ' 113' ' ' LEU . 10.8 p90 -123.03 141.3 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 71.24 110.71 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.2 123.63 31.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 61.22 110.927 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.5 pt -58.91 -29.49 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 62.25 111.151 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.35 -29.27 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.524 . . . . 63.43 110.855 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -100.03 117.41 34.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.85 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -71.09 -38.76 72.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 73.15 110.829 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.14 -36.54 77.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.886 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.0 t -59.14 -31.99 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 53.13 110.799 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -74.02 -30.31 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 75.31 110.746 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.88 -29.95 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.977 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.422 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 6.1 m-20 -70.02 -32.46 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 74.44 110.885 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.5 mm -61.31 -27.48 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 74.53 110.845 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -75.45 -55.3 5.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 72.23 110.944 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -30.82 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 71.2 111.023 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.4 m-85 -62.21 -47.2 85.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 72.22 110.846 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -43.26 85.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 74.22 111.032 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.16 -28.43 64.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.253 -0.431 . . . . 72.52 111.203 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.19 -41.74 48.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.464 -0.335 . . . . 72.51 110.885 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.8 mt -56.94 -56.96 11.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 73.51 110.884 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -26.5 64.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.01 110.78 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -57.14 4.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 75.53 110.99 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.3 p -68.93 -36.28 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.42 -0.354 . . . . 75.14 111.135 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.87 -20.69 57.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 70.43 111.09 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.03 35.98 12.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.871 0.367 . . . . 73.3 110.683 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.4 p -138.47 -176.56 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 72.31 110.862 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.68 -71.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 70.54 110.778 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.65 82.38 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 64.42 110.765 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.2 m -98.42 152.9 38.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.25 111.315 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.69 108.02 2.16 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.695 2.263 . . . . 72.35 112.352 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.9 ptp -154.29 167.94 28.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 70.34 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.8 t -143.78 152.04 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.186 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.417 HD13 ' CD1' ' A' ' 82' ' ' PHE . 9.4 tp -115.06 111.51 21.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 75.25 110.746 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.3 t -103.02 150.18 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 72.54 111.199 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.41 78.89 0.24 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 72.22 112.508 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -59.31 159.55 7.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.314 . . . . 72.02 110.469 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.58 48.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 73.41 110.765 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.3 t -110.0 36.19 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 70.55 110.988 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.41 ' OD1' ' O6 ' ' A' ' 219' ' ' GNP . 5.8 p-10 -119.94 -46.2 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.42 . . . . 64.12 110.967 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -72.85 161.25 30.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.3 110.861 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -90.91 57.12 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 72.31 111.075 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -141.84 69.52 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.32 111.055 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.17 110.2 22.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.79 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.3 p -84.31 -49.63 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.12 110.614 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 30.0 t -88.08 107.61 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.03 -0.532 . . . . 74.32 110.817 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -54.58 160.65 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 74.02 111.119 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.9 m -60.69 -41.5 95.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 71.22 111.059 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -54.39 -46.65 73.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 72.12 110.963 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -60.29 -41.18 92.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.916 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.55 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 63.53 111.088 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -36.44 73.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.892 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -57.22 -47.7 80.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.969 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -51.55 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.959 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.15 -43.72 87.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 75.52 111.257 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -61.04 -40.6 94.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 75.22 110.935 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.7 t -66.34 -25.65 66.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 70.02 110.984 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -84.58 -24.02 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 72.41 111.222 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.79 15.53 63.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.732 . . . . 75.24 112.589 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 13.4 pt -110.76 153.45 43.67 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 64.24 111.312 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.59 154.28 68.61 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.561 2.174 . . . . 74.12 112.253 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -124.59 117.77 25.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 74.44 110.761 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.5 mp -119.43 147.63 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 71.11 111.102 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -107.69 137.97 44.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 64.41 110.854 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 20.5 p -152.39 179.6 8.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 72.43 111.327 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.07 119.13 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.784 -0.644 . . . . 74.44 110.263 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.6 -40.82 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 72.42 111.497 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -64.12 -66.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.389 -0.369 . . . . 74.15 111.185 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 26.9 p -70.38 -23.52 62.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.384 . . . . 73.54 111.443 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 66.31 67.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 71.42 110.672 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -116.52 125.1 51.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 71.23 111.096 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 54.33 25.83 34.84 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.89 -0.672 . . . . 73.23 112.727 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 31.4 m -61.75 -38.38 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 74.4 111.194 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.435 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.7 mt-10 -73.81 -33.3 64.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 74.25 110.93 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -46.56 88.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 75.54 110.93 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -66.49 -41.7 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 74.44 111.187 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 19.5 m-85 -65.18 -49.68 68.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 74.04 111.111 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.1 m-85 -55.09 -34.34 63.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 74.22 111.107 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.3 m -53.6 -39.0 64.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.332 -0.395 . . . . 62.54 111.161 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -43.06 95.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.15 111.024 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.0 -45.19 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 75.33 111.017 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -62.31 -43.99 97.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.023 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -58.44 -41.69 85.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 72.41 110.907 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 92.2 mt -69.58 -47.23 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 72.3 111.112 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -49.56 74.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.25 111.018 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -20.63 61.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 70.52 111.186 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.194 -0.908 . . . . 75.44 110.82 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.691 ' O2A' " H4'" ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . 0.509 ' O ' ' O1B' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.949 0.404 . . . . 74.04 111.288 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.41 145.02 19.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.928 -0.578 . . . . 74.33 110.859 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -109.47 126.6 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 73.13 110.78 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.428 ' CE2' HG22 ' A' ' 160' ' ' VAL . 13.0 m-85 -101.72 109.46 21.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 74.21 111.09 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -82.99 95.77 8.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.786 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.5 mt -97.34 111.0 23.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 64.25 111.067 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.7 t -85.48 105.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 72.4 111.07 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.9 t -88.43 138.97 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 71.44 111.0 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.6 m -141.17 149.54 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 74.42 111.062 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.58 -161.36 12.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.637 -0.792 . . . . 63.03 112.558 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.87 29.44 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 73.15 111.12 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.8 -64.19 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 73.42 112.496 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' HA2' ' O2A' ' A' ' 219' ' ' GNP . . . -92.81 44.65 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.717 . . . . 75.23 112.534 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 m -112.34 -30.2 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.695 0.283 . . . . 64.51 111.289 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' HA2' ' O1A' ' A' ' 219' ' ' GNP . . . 111.98 28.75 3.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 71.33 112.452 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -60.33 -49.53 77.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.675 0.274 . . . . 74.5 111.058 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -71.52 -29.52 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 54.42 110.82 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.7 -50.03 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 64.55 111.096 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.4 mt -57.45 -31.94 66.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 65.42 110.937 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 m -63.57 -58.29 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 61.53 110.995 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.404 HD11 ' CZ ' ' A' ' 40' ' ' TYR . 30.0 mm -54.76 -29.67 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.33 111.171 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -65.6 -49.88 67.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 74.45 110.69 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.44 -6.59 52.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 75.35 111.36 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.7 mm -101.99 -74.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.836 0.351 . . . . 73.32 111.054 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -92.78 -22.51 19.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 73.15 111.26 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.91 26.78 12.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.407 -0.36 . . . . 74.3 110.944 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -110.73 -13.66 14.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 70.34 110.984 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.494 ' CZ ' " O2'" ' A' ' 219' ' ' GNP . 7.3 t80 69.1 139.84 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.441 -0.345 . . . . 75.41 110.708 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.45 ' CG2' ' H1 ' ' A' ' 252' ' ' HOH . 17.0 t -51.75 147.3 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 74.33 111.09 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -175.22 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.061 -0.518 . . . . 71.22 111.076 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -152.51 27.69 0.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.5 -0.318 . . . . 75.33 111.172 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CZ ' ' O ' ' A' ' 264' ' ' HOH . 19.8 p90 -62.04 168.46 3.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 75.24 110.842 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.05 126.14 80.22 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.052 -0.522 . . . . 75.14 110.706 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -73.84 -30.54 9.21 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.451 2.101 . . . . 75.22 112.203 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 88.1 p -62.99 -173.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.769 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 35' ' ' SER . 9.3 pt 47.06 -168.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 64.42 111.529 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.53 -177.07 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.0 110.679 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -113.35 26.52 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 71.14 111.058 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 t -92.81 141.65 28.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 72.44 111.018 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.404 ' CZ ' HD11 ' A' ' 21' ' ' ILE . 24.3 m-85 -138.01 166.18 24.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.839 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -125.81 133.79 51.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.873 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -134.46 132.25 39.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 73.3 110.966 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -94.59 121.5 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 71.42 110.84 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 m -143.94 -176.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.309 -0.405 . . . . 74.24 111.303 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.8 p -124.23 121.73 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.33 111.083 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.412 ' CD1' HG11 ' A' ' 160' ' ' VAL . 11.0 mm -103.21 106.54 20.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 74.25 111.173 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t70 59.56 37.87 22.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 75.13 110.817 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.79 20.68 63.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.892 -0.671 . . . . 63.52 112.548 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -126.0 101.17 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 74.04 110.783 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -60.73 126.08 26.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 71.01 111.046 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 m -157.77 150.86 23.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 75.23 110.776 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 tp -78.58 152.14 32.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 75.43 110.769 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.6 mt -124.85 88.15 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.927 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.68 98.0 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 53.52 110.82 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.3 mm -88.9 108.38 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 73.15 111.071 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -100.77 125.06 47.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.788 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -115.36 103.55 10.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 74.21 110.72 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.1 p -75.49 169.61 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 74.4 110.821 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.63 156.17 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.22 111.159 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.09 -30.4 2.96 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 64.32 112.397 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -115.05 14.23 17.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.723 0.297 . . . . 61.43 111.191 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -108.81 -22.42 12.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.459 -0.337 . . . . 75.23 111.113 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 68.44 -81.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.755 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 49.52 84.11 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.428 -0.351 . . . . 75.45 111.151 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.8 p -74.46 -32.29 62.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 73.22 110.911 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.57 -48.3 82.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 72.34 111.125 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.08 -30.57 49.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 75.04 111.011 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -59.13 -37.25 76.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 72.04 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -71.54 -29.24 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.738 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -67.06 -41.18 86.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 74.24 110.767 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -69.88 -34.08 73.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 73.2 111.2 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.8 mtt -62.72 -48.55 78.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 73.2 111.054 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -70.13 -19.42 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.44 111.372 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 p -102.62 -5.81 23.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.579 -0.282 . . . . 74.5 111.29 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.35 117.95 6.03 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.625 -0.798 . . . . 61.04 112.64 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.36 -27.48 69.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.718 0.294 . . . . 75.23 110.886 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.92 169.78 28.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 73.1 112.36 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.428 ' CE1' HG23 ' A' ' 100' ' ' ILE . 74.7 m-85 -131.44 145.27 51.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 74.44 110.923 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.35 121.33 40.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 73.21 110.902 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 m -96.54 100.01 11.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 72.3 110.827 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 p -106.9 135.78 44.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 71.2 111.124 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -149.55 167.52 26.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 75.34 110.887 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.26 124.35 49.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 73.45 111.104 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.1 pt -61.91 -31.61 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 75.31 110.945 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -66.04 -29.33 69.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 74.14 110.941 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -108.04 107.44 18.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 72.34 110.887 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.8 m -63.04 -24.32 67.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 73.33 111.021 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -40.61 96.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.428 -0.351 . . . . 74.02 110.733 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.6 p -59.62 -49.87 76.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 61.2 110.697 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -58.15 -30.55 66.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 73.4 110.586 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.95 -29.28 39.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 72.24 110.875 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.439 ' HA ' ' NE2' ' A' ' 95' ' ' GLN . 91.6 m-20 -76.31 -45.72 31.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 74.24 110.976 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 mm -53.08 -27.06 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 120.957 0.408 . . . . 74.03 110.623 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.58 -52.88 55.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 75.44 110.709 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.518 ' HG2' ' N ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -68.65 -29.91 68.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 74.52 110.818 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.518 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 12.0 m-85 -63.48 -42.14 98.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 73.53 110.715 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -31.49 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.688 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.28 -37.98 89.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.047 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -39.15 82.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 74.31 110.92 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.428 HG23 ' CE1' ' A' ' 78' ' ' PHE . 72.3 mt -60.35 -42.4 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 64.04 111.091 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -35.96 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 75.32 111.085 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -58.98 3.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 74.53 111.116 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.8 t -59.1 -59.98 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 74.44 111.116 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -60.42 -25.12 65.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.862 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.1 t0 62.03 41.49 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 73.21 110.737 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -158.49 128.31 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 72.04 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.58 -24.79 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 73.42 111.137 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -110.61 95.67 5.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 75.14 111.176 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.8 m -121.85 153.44 60.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.869 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.63 102.5 1.17 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.533 2.156 . . . . 70.43 112.36 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 10.5 ptp -148.2 174.04 12.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 73.44 110.815 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.8 t -146.88 156.07 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 64.04 111.262 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.4 tp -117.61 109.03 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 74.53 110.881 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 32.9 t -103.9 144.6 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 72.3 111.142 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.17 83.11 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 75.43 112.505 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -60.02 170.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 72.52 110.918 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.1 mttt 59.65 63.37 1.52 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 72.23 110.882 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 16.4 t -104.5 -35.97 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 72.55 110.992 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -68.98 -23.61 64.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 74.34 111.153 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 40.8 mt -53.65 -179.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.503 -0.317 . . . . 75.22 111.025 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -131.11 28.36 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.376 . . . . 54.43 111.323 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.26 66.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.339 -0.391 . . . . 74.31 111.148 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -92.16 134.05 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.34 111.052 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.6 p -103.53 -32.64 9.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.639 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.9 t -101.19 95.88 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.928 -0.578 . . . . 75.1 110.781 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.58 158.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 72.55 111.169 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.3 t -54.8 -48.72 72.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 65.14 111.466 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -34.61 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 74.01 111.157 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -67.14 -32.15 73.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 71.34 110.801 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.06 -30.03 39.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 75.05 111.2 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.98 -30.78 62.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 75.13 110.983 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.14 -43.55 92.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 70.13 111.017 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.64 -48.39 48.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.809 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.28 -45.6 93.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 71.05 111.073 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -55.68 -42.45 75.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.91 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.8 t -72.17 -31.21 65.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.623 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -73.04 -23.7 60.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 72.11 111.021 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.99 16.13 63.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.67 -0.776 . . . . 75.22 112.614 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 3.2 pt -119.56 157.32 52.14 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 120.723 0.297 . . . . 74.43 111.341 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.3 167.3 24.25 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.499 2.132 . . . . 74.34 112.2 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -134.28 117.05 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.573 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.8 mp -117.4 137.81 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 72.12 111.329 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -103.98 131.87 50.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 71.11 110.511 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 22.0 p -148.31 173.44 13.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.947 0.403 . . . . 72.35 111.436 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.83 135.32 34.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.878 -0.601 . . . . 72.43 110.791 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.05 -11.28 59.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 75.02 111.825 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -93.89 -48.54 6.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.358 . . . . 71.34 111.047 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 20.5 p -95.11 0.83 54.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 74.41 111.616 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.406 ' HA ' ' CG2' ' A' ' 152' ' ' VAL . 10.3 ptm180 42.71 54.38 4.6 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.896 0.379 . . . . 65.31 111.523 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.94 121.15 41.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 73.53 111.19 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 63.42 13.97 52.29 Favored Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.843 -0.694 . . . . 53.04 113.173 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 149' ' ' ARG . 85.1 t -57.53 -54.83 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 116.963 0.382 . . . . 75.13 110.906 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.416 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 1.7 mt-10 -61.16 -33.03 72.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 71.05 110.492 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -30.1 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 71.43 110.831 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -72.32 -50.42 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.02 111.201 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -63.63 -47.52 81.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 73.35 111.152 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.428 ' HA ' ' CG1' ' A' ' 160' ' ' VAL . 14.0 m-85 -52.16 -27.25 13.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.575 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 18.5 m -68.34 -37.85 80.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.351 . . . . 73.32 111.155 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 17.2 tp -68.14 -51.6 44.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 75.13 110.708 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.428 ' CG1' ' HA ' ' A' ' 157' ' ' TYR . 2.2 p -64.64 -34.47 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.177 -0.465 . . . . 65.24 111.079 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -69.41 -34.06 73.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.902 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.6 -35.95 60.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 72.41 111.047 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 36.2 mt -64.7 -33.13 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 74.21 111.282 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -53.18 -46.77 69.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 75.53 111.046 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -65.11 -35.63 81.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 74.01 110.9 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.322 -0.847 . . . . 74.33 110.974 179.944 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.494 " O2'" ' CZ ' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . 0.45 ' H1 ' ' CG2' ' A' ' 29' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . 0.411 ' O ' ' CZ ' ' A' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.806 0.336 . . . . 74.12 111.185 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.42 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -95.89 149.77 21.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.55 110.758 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -101.87 128.25 48.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 73.31 110.747 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.42 ' CE2' ' CG2' ' A' ' 2' ' ' THR . 36.0 m-85 -119.51 104.73 10.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 64.43 111.032 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 95.86 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 75.53 110.618 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.5 mt -93.67 113.48 25.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.04 111.155 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 65.3 t -94.75 116.95 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.42 111.008 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.1 t -91.18 139.7 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 75.34 111.08 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.5 m -142.46 160.97 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 75.2 111.052 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.82 -100.07 0.13 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.704 -0.76 . . . . 71.12 112.589 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.11 91.92 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 73.2 111.052 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.14 -80.13 0.2 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 70.52 112.338 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.455 ' HA3' ' O1A' ' A' ' 219' ' ' GNP . . . -114.97 -78.98 0.81 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.833 -0.699 . . . . 50.11 112.484 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.7 m 40.79 31.59 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 112.003 0.372 . . . . 73.25 112.003 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.2 32.92 29.76 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.872 -0.68 . . . . 74.12 112.706 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -68.31 -38.76 81.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 75.21 111.024 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.0 p -81.12 -36.27 30.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 70.0 111.044 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.94 -50.43 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 71.25 111.351 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.3 mt -56.82 -30.98 64.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.351 -0.386 . . . . 74.42 110.978 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.4 m -72.06 -43.03 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 74.21 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.6 mm -67.67 -42.69 86.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 74.12 111.138 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -59.02 -41.31 87.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 74.24 110.843 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.8 tp -76.77 -10.33 59.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 75.34 111.334 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 mm -111.64 -74.08 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.694 0.283 . . . . 74.12 111.508 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -82.36 -19.74 38.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.405 -0.361 . . . . 75.33 111.603 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 68.7 46.35 0.95 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.871 0.367 . . . . 74.21 110.913 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -168.1 137.81 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 72.21 110.82 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.47 ' CZ ' " O2'" ' A' ' 219' ' ' GNP . 0.1 OUTLIER -62.62 115.96 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 73.23 110.838 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.9 p -70.93 -32.93 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 74.11 111.19 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.1 t0 71.61 -64.66 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.956 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' HB3' ' O3G' ' A' ' 219' ' ' GNP . 1.8 pt-20 -175.18 69.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 71.21 110.781 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.29 119.37 8.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 74.2 110.904 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.9 115.08 6.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 63.52 110.715 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.64 72.47 6.5 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.557 2.172 . . . . 74.04 112.534 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.8 m 55.44 36.93 28.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 61.04 110.974 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 pt -111.27 167.82 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 72.4 111.228 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -102.75 28.87 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.944 -0.571 . . . . 75.34 110.998 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 59.3 22.75 11.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 74.31 111.202 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 t -105.41 140.99 37.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.329 -0.396 . . . . 74.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -145.95 171.83 14.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.93 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -134.39 159.68 40.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.846 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -155.88 147.04 22.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.14 110.937 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -111.28 120.14 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 70.34 110.826 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 m -139.41 -178.88 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.35 111.075 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -124.29 100.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 71.3 111.041 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.445 HD12 HG21 ' A' ' 46' ' ' ILE . 18.6 mt -115.37 128.17 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 72.31 110.941 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 68.31 31.89 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.915 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.21 31.22 78.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 64.45 112.631 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.52 112.42 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 74.11 110.835 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -62.3 125.09 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.801 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.5 m -146.63 151.17 36.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 75.42 110.892 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.14 145.17 27.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 74.0 110.825 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.6 95.66 5.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.942 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.98 94.96 10.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.885 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.0 mm -91.35 108.39 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 75.14 111.101 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.17 119.61 39.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 52.31 110.717 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.45 105.0 16.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 65.23 110.848 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.9 p -79.03 -173.91 3.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 73.51 110.839 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.11 162.76 13.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.099 0.476 . . . . 54.32 111.376 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.01 -82.31 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.658 -0.701 . . . . 50.22 112.497 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -129.86 -76.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.758 0.313 . . . . 71.33 110.696 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 53.05 28.03 6.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 74.02 111.161 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.16 30.5 20.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 74.02 110.966 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -109.78 110.82 21.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.987 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 p -122.74 -39.41 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 71.32 110.982 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.07 -57.84 8.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.369 -0.378 . . . . 61.23 111.276 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -58.73 -27.49 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 72.55 110.965 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -34.54 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.998 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -73.0 -30.24 63.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 62.0 110.763 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -54.94 7.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 74.45 110.897 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -63.7 -37.68 88.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 74.44 111.034 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.4 mtt -69.09 -38.82 79.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 73.01 110.982 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -72.67 -13.7 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 74.22 111.325 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 73.9 p -101.84 -15.99 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.544 -0.298 . . . . 75.12 111.375 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.11 124.83 6.82 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.631 -0.795 . . . . 61.11 112.741 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.51 -19.21 59.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.687 0.279 . . . . 65.35 110.958 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.63 150.41 22.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.858 -0.687 . . . . 71.22 112.269 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.44 ' CE2' HG22 ' A' ' 100' ' ' ILE . 29.1 m-85 -118.91 135.16 54.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 71.5 111.095 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.91 120.23 37.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.857 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.9 m -96.84 103.76 15.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 74.53 110.93 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -101.94 108.29 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 72.14 111.189 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.22 153.42 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.714 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.41 123.67 39.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.235 -0.439 . . . . 63.43 110.996 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.4 pt -60.59 -21.61 23.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 73.54 111.261 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -85.44 -24.76 27.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 71.25 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.82 99.02 8.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 74.53 110.902 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.9 m -62.96 -26.76 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 71.13 110.92 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -54.45 -43.55 71.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 74.24 111.012 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 t -55.38 -46.6 76.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 75.31 111.001 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.15 -27.03 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 73.43 111.143 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.66 -40.91 63.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 72.43 110.931 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.22 -33.59 59.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.11 111.023 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.8 mm -50.57 -40.43 19.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.394 -0.366 . . . . 74.01 110.811 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -76.62 -40.52 49.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 73.22 110.363 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -51.2 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 73.41 110.893 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -59.58 -32.28 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 71.12 111.004 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -44.85 93.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 73.33 110.967 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.0 -35.19 68.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.31 111.008 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -71.94 -36.53 69.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 72.14 110.767 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.44 HG22 ' CE2' ' A' ' 78' ' ' PHE . 88.0 mt -58.88 -46.06 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 74.23 111.14 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -44.56 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 65.5 110.94 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -68.38 -40.46 81.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 75.53 111.428 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.5 t -50.9 -49.88 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 75.33 111.418 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.89 7.2 32.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.443 -0.344 . . . . 75.24 111.416 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t70 46.94 63.87 1.77 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.818 0.342 . . . . 73.23 111.281 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.75 146.09 0.43 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.42 110.842 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -77.53 -51.64 10.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 62.43 110.916 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -77.63 79.63 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.23 111.02 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.1 m -107.54 149.76 39.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 74.34 111.029 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.59 108.97 1.96 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.563 2.176 . . . . 73.21 112.14 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 9.8 ptp -156.71 173.56 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 72.22 110.994 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.6 t -147.82 156.91 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 73.33 111.055 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.9 tp -121.4 102.92 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 75.01 110.798 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 18.1 t -96.99 152.73 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.41 111.125 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.79 90.62 0.47 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.729 . . . . 73.13 112.425 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -68.91 173.58 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 74.54 110.837 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.4 mttt 62.35 69.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.915 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.6 t -109.14 -25.11 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.45 111.14 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -53.72 -66.94 0.3 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.41 -0.359 . . . . 75.51 110.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.527 HD12 HN22 ' A' ' 219' ' ' GNP . 0.0 OUTLIER -50.0 173.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 73.55 111.272 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.27 40.86 3.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 65.5 111.184 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -121.77 61.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.24 111.057 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.22 98.64 9.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.108 -0.496 . . . . 73.23 111.164 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.5 p -69.71 -28.12 65.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.661 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.6 t -105.56 110.89 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 116.151 -0.477 . . . . 74.03 110.832 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.91 160.69 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 72.51 110.977 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.2 p -66.44 -33.19 75.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.754 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -57.92 -45.4 86.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.766 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -65.68 -42.35 91.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 64.33 110.809 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.05 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 63.21 110.994 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.86 -36.29 81.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 73.23 110.871 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.68 -36.8 77.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.42 110.782 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.2 tp -76.3 -51.19 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 74.42 110.771 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.99 99.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 73.33 111.076 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -62.28 -27.67 69.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 74.52 111.188 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -30.53 60.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 73.15 110.783 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.495 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.0 m-85 -85.41 -10.03 56.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 73.31 111.326 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.63 24.19 76.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.635 -0.793 . . . . 61.11 112.362 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.495 HG12 ' HB2' ' A' ' 137' ' ' TYR . 6.3 pt -113.9 157.3 42.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 74.23 111.524 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.13 147.59 42.99 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.593 2.195 . . . . 73.01 112.138 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -116.88 102.4 9.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 65.25 110.734 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.0 mp -104.46 150.31 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 74.25 111.192 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -119.52 129.85 54.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 74.21 110.869 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 22.2 p -134.89 -177.93 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 73.14 111.118 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.1 p -152.33 118.27 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 70.42 110.649 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.73 -24.61 58.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.37 -0.377 . . . . 63.24 111.35 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -76.08 -52.48 10.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.383 -0.372 . . . . 75.04 110.986 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p -90.64 -16.11 29.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.4 . . . . 73.23 111.488 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? 64.35 70.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 75.43 110.622 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.05 124.49 44.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 74.5 111.061 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 51.93 26.04 17.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.985 -0.626 . . . . 72.31 112.897 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.4 t -58.61 -54.85 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 72.11 111.25 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -65.16 -27.65 68.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 75.13 111.101 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -57.69 -57.4 12.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.358 -0.383 . . . . 70.02 111.067 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.67 -38.88 56.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 73.44 111.364 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -70.43 -49.49 48.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.873 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -57.5 -30.25 64.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 75.51 110.878 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 35.7 m -60.38 -37.45 80.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.852 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.07 -43.67 97.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.824 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 23.3 t -53.77 -40.04 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.136 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -31.23 68.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 75.2 110.775 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.68 -48.17 34.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 75.24 110.776 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.85 -55.61 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.285 -0.416 . . . . 74.54 111.271 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -40.18 74.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 74.32 110.869 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.62 -21.43 66.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 74.5 111.036 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.229 -0.891 . . . . 63.34 110.831 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.527 HN22 HD12 ' A' ' 120' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . 0.459 ' O ' ' O1G' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 121.032 0.444 . . . . 74.43 111.308 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.97 149.73 31.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.717 -0.674 . . . . 64.14 110.81 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -110.1 122.27 47.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 65.34 110.727 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -107.66 128.08 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 74.51 110.937 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.38 92.04 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 72.24 110.905 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -105.92 128.47 53.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 75.05 110.84 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.444 ' CG2' ' CD2' ' A' ' 78' ' ' PHE . 5.4 m -107.25 135.63 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 70.41 111.276 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -109.62 117.65 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.139 -0.482 . . . . 71.44 111.146 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -105.67 174.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.993 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.33 -178.05 40.36 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.566 -0.826 . . . . 73.31 112.655 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.66 25.36 10.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.795 0.331 . . . . 72.43 111.219 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.62 110.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.654 -0.784 . . . . 75.21 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.91 -18.11 57.94 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 74.21 112.762 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.4 m -60.8 -30.73 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 73.43 111.053 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.64 28.07 4.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 73.05 112.532 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -43.1 93.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 74.55 110.981 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -67.29 -32.21 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 62.45 110.904 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.5 -56.75 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 75.12 111.146 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.8 mt -56.16 -39.54 72.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 73.13 111.03 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.1 m -61.19 -61.42 2.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 71.32 110.724 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.414 HG21 ' CE1' ' A' ' 27' ' ' HIS . 48.4 mm -59.87 -31.09 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 73.34 110.957 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -59.22 -49.53 77.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 54.12 110.918 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.1 tp -70.23 -46.19 64.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.941 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.5 mm -59.62 -62.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 75.33 111.155 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 44.5 mt-30 -104.58 -99.47 0.32 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.445 -0.343 . . . . 74.33 111.063 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 8.2 p30 161.94 68.03 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.751 0.31 . . . . 73.52 110.694 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.414 ' CE1' HG21 ' A' ' 21' ' ' ILE . 15.0 p80 -174.26 152.1 1.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.903 0.383 . . . . 72.12 111.151 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.791 ' CZ ' " H2'" ' A' ' 219' ' ' GNP . 0.3 OUTLIER -73.23 91.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 74.34 110.552 179.632 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.418 HG21 ' CD1' ' A' ' 32' ' ' TYR . 1.6 p -49.42 149.48 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 62.43 111.217 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 45.9 t0 179.58 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 64.31 110.968 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -90.0 46.02 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 75.51 111.111 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CD1' HG21 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -147.12 167.98 22.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 71.14 110.757 179.803 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -53.94 130.74 58.06 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.052 -0.522 . . . . 62.31 110.89 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -74.29 -46.84 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.479 2.119 . . . . 72.02 112.541 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.49 107.52 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 75.15 110.974 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -155.76 167.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 75.43 111.499 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -108.2 17.94 21.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 71.41 111.149 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -76.99 59.39 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 74.03 110.608 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 p -53.97 175.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 72.45 111.044 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -143.67 162.93 34.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.292 -0.413 . . . . 63.2 110.883 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -140.41 130.09 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 75.23 110.72 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -119.16 149.56 41.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.25 110.915 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -101.63 118.71 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 75.54 110.691 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.9 m -129.5 -178.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 74.25 111.096 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 t -122.5 101.45 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 75.21 111.185 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.7 mm -82.54 100.97 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 73.33 111.023 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t70 59.35 35.96 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.33 111.031 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.49 -25.34 25.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.655 -0.783 . . . . 63.55 112.581 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.98 115.33 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 62.32 110.916 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.2 m -76.41 122.29 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 73.14 110.876 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.3 m -150.33 146.89 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.859 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.99 146.08 33.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.989 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.9 mt -123.66 90.24 3.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 75.41 110.741 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.05 94.71 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 71.24 111.063 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.6 mm -81.19 112.2 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.55 110.906 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.42 ' CD2' ' C ' ' A' ' 56' ' ' LEU . 3.9 tt -95.67 123.94 39.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 71.13 110.787 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -92.2 121.38 33.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 75.15 110.702 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.418 HG23 ' CZ ' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -95.03 178.88 5.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 74.1 110.796 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.66 157.44 20.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.42 111.129 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.93 -51.58 0.56 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 75.21 112.404 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -135.41 12.28 3.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.549 0.214 . . . . 75.04 111.274 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -80.04 163.97 23.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.892 0.377 . . . . 71.04 110.97 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.84 114.19 28.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.836 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -159.04 176.23 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 75.51 110.875 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -173.6 -51.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 72.42 111.025 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.03 -54.96 27.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 72.33 111.202 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mtm -74.69 -22.45 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 74.31 111.041 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -58.19 -24.3 58.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.451 -0.34 . . . . 74.33 111.09 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.98 -37.38 26.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 71.12 111.177 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -62.36 -36.91 83.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.351 -0.386 . . . . 70.21 111.006 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.418 ' CZ ' HG23 ' A' ' 58' ' ' THR . 0.1 OUTLIER -72.71 -36.27 67.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 72.3 110.726 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.1 mtt -68.21 -38.12 81.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 71.11 110.671 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 1.2 mmt180 -70.61 -11.61 61.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.3 111.144 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.6 p -101.71 -15.45 16.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.771 0.32 . . . . 71.04 111.249 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.36 111.92 4.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.599 -0.81 . . . . 74.53 112.75 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.1 -28.62 64.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.825 0.345 . . . . 64.4 110.856 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.16 176.42 21.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.799 -0.715 . . . . 63.44 112.324 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.444 ' CD2' ' CG2' ' A' ' 7' ' ' VAL . 77.0 m-85 -140.19 137.34 34.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 75.11 110.977 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.33 123.45 46.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 74.34 110.732 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.2 m -96.43 105.87 18.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 73.11 111.027 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -97.07 106.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.037 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -122.93 146.8 47.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 70.35 110.688 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 123.53 35.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 74.45 111.199 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -62.21 -24.28 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 72.2 111.059 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -81.76 -16.56 50.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 72.31 111.152 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -118.58 100.22 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.791 0.329 . . . . 74.15 110.813 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.85 -31.92 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -53.52 -39.24 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 72.35 110.847 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.6 p -60.18 -43.87 95.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 74.33 110.506 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -59.09 -27.67 65.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 62.24 110.591 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.01 -34.76 66.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 73.22 110.714 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.424 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 11.1 m-20 -76.23 -31.36 58.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.989 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.9 mm -59.72 -31.7 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.445 -0.343 . . . . 75.43 110.714 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -70.91 -55.36 8.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 75.14 110.971 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -67.38 -28.75 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 74.33 111.037 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 3.2 m-85 -68.23 -49.7 58.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.388 -0.369 . . . . 65.23 110.695 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -52.32 -38.21 57.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 75.01 111.127 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.27 -36.29 77.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 62.32 110.906 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -36.81 79.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 75.23 110.898 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.415 HG22 ' CE1' ' A' ' 78' ' ' PHE . 20.0 mt -70.22 -40.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.33 111.081 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -55.77 -40.01 72.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 74.55 111.108 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -65.25 -55.66 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 74.43 110.747 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.401 ' CG1' ' HG2' ' A' ' 73' ' ' ARG . 51.4 t -55.94 -52.86 44.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 75.32 111.088 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.08 -18.49 61.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 72.31 110.851 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.2 t0 62.6 31.88 16.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.947 0.403 . . . . 74.32 110.745 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 p -158.42 135.5 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.982 -0.554 . . . . 73.02 110.765 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.8 -24.13 62.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 71.33 111.045 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -102.14 89.87 3.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 64.05 110.945 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.0 m -118.41 151.43 49.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 74.34 111.092 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.03 104.7 1.24 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.595 2.197 . . . . 72.41 112.278 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 12.1 ptp -151.67 172.29 16.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.887 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.9 t -145.81 154.57 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 70.24 111.187 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.4 tp -112.15 108.83 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 72.21 110.764 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 14.1 t -94.71 126.08 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 71.43 111.221 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.64 72.59 0.77 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.819 -0.705 . . . . 70.44 112.495 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.24 173.01 0.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 72.14 110.923 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.9 mttt 59.74 46.74 11.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.924 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.5 t -83.27 -29.0 28.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.983 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -76.42 -13.9 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 70.23 111.363 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.59 161.37 0.72 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.767 0.318 . . . . 70.41 111.009 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -107.01 27.46 8.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 73.03 111.446 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.81 63.3 1.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 41.03 111.139 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.6 mmm-85 -63.34 91.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 75.1 110.997 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.8 p -79.52 -30.65 41.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 74.32 110.865 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.62 100.09 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.255 -0.429 . . . . 65.53 110.907 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.21 159.97 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 71.21 110.909 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -29.43 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 71.44 110.975 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.4 tpt85 -60.0 -47.78 84.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.913 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -65.04 -42.62 94.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 74.1 111.096 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.431 ' HB2' ' CE1' ' A' ' 141' ' ' TYR . . . -68.49 -37.33 80.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.37 . . . . 73.44 111.101 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -31.31 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.839 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.21 -35.92 82.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.797 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.6 tp -75.83 -51.47 12.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 73.21 110.931 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.02 96.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 65.21 111.303 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -57.18 -34.72 68.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 73.32 111.14 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.6 t -73.16 -30.89 63.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 73.23 110.787 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -84.91 -18.97 33.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 73.34 111.11 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.48 16.84 65.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.671 -0.776 . . . . 72.01 112.548 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 25.5 pt -107.77 152.91 41.75 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 75.42 111.324 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.32 167.41 22.29 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.556 2.171 . . . . 74.32 112.388 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 130' ' ' ALA . 50.9 t80 -143.82 121.55 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.05 110.825 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.85 148.62 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.31 111.02 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -111.35 134.47 52.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.575 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.2 p -145.15 -177.55 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.976 0.417 . . . . 71.44 111.267 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.6 p -149.42 124.57 10.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 72.12 110.633 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.83 -33.5 68.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 52.13 111.355 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -76.14 -52.42 10.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 75.31 111.102 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -24.36 40.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.31 -0.405 . . . . 62.43 111.248 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 64.88 58.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 74.31 110.709 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -111.74 126.11 54.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.523 . . . . 73.24 111.017 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 52.57 23.71 15.06 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.9 -0.667 . . . . 63.14 112.994 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.2 t -57.73 -54.91 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.884 0.373 . . . . 74.42 111.035 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.43 -25.44 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 71.44 110.948 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -56.39 22.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.417 . . . . 72.12 110.961 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.98 -38.45 70.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 71.51 111.153 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -66.69 -50.29 63.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 73.53 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -58.25 -31.34 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 75.11 111.006 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 77.4 m -58.31 -36.63 73.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 73.42 111.016 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -46.87 84.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 13.7 t -55.48 -46.21 78.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.104 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -35.7 75.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 64.03 110.795 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.24 -53.53 29.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.963 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 79.7 mt -58.45 -38.29 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.168 -0.469 . . . . 70.44 111.265 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -56.75 -42.11 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 74.42 110.908 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -64.28 -39.21 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 70.34 110.816 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.183 -0.913 . . . . 74.44 110.797 179.912 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 219' ' ' GNP . . . . . 0.968 " H3'" ' H8 ' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.6 ' SD ' HG22 ' A' ' 50' ' ' THR . 9.3 tpp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.003 0.43 . . . . 71.23 111.235 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.29 145.47 46.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.77 -0.65 . . . . 60.41 110.605 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -95.86 120.31 35.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.82 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.444 ' HB2' HD23 ' A' ' 53' ' ' LEU . 54.5 m-85 -111.21 103.12 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 73.13 110.986 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 94.26 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 70.22 110.618 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.545 HD12 HD11 ' A' ' 55' ' ' ILE . 50.6 mt -88.06 101.72 14.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.083 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.413 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 57.1 t -87.51 108.5 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.11 110.893 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.473 HG12 ' HG3' ' A' ' 16' ' ' LYS . 3.5 t -89.39 145.43 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 65.12 111.21 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 79' ' ' LEU . 19.3 m -129.51 157.36 42.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 73.13 110.965 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.49 154.31 19.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.574 -0.822 . . . . 60.11 112.648 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.765 ' HB2' ' CG ' ' A' ' 92' ' ' ASP . . . -72.85 -18.72 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.733 0.301 . . . . 72.44 111.438 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.0 -58.12 0.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.829 -0.701 . . . . 73.2 112.343 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.85 26.08 8.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 72.43 112.428 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.544 HG12 ' HB3' ' A' ' 89' ' ' SER . 35.8 m -77.74 -19.37 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.685 0.279 . . . . 72.11 111.524 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.75 13.76 11.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 43.41 112.45 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HG3' HG12 ' A' ' 8' ' ' VAL . 2.6 ttmt -58.81 -52.57 65.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.896 0.379 . . . . 71.12 110.716 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -72.77 -25.43 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 53.35 110.963 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.22 -38.53 78.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.382 -0.372 . . . . 63.22 111.13 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.495 HD23 HG13 ' A' ' 152' ' ' VAL . 1.8 mt -70.91 -36.9 72.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 52.44 110.893 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.488 HG23 ' CG2' ' A' ' 55' ' ' ILE . 88.7 m -68.11 -55.4 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 73.11 110.825 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.7 mm -55.16 -31.24 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 53.35 110.927 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -74.66 -44.98 47.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 71.1 110.791 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -70.91 -11.32 60.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.996 -0.547 . . . . 63.23 111.17 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.1 mm -111.03 -71.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 73.13 111.317 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -84.48 -25.63 28.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.12 111.373 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.828 0.347 . . . . 64.13 110.784 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.716 0.294 . . . . 71.35 110.811 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.7 ptt85 -146.13 116.73 7.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.405 . . . . 51.24 110.857 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -108.93 148.15 31.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 63.1 110.998 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -101.72 120.36 40.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.601 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.37 -178.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 71.32 111.254 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' ' 45' ' ' VAL . 9.1 p -124.97 107.97 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.513 . . . . 73.54 111.089 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.884 HG13 HG11 ' A' ' 160' ' ' VAL . 12.5 mm -84.83 101.52 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 63.03 111.139 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.17 44.21 22.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 64.31 111.042 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.17 20.45 64.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 63.51 112.626 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -123.4 93.21 3.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.909 0.385 . . . . 60.35 110.871 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.6 HG22 ' SD ' ' A' ' 1' ' ' MET . 52.9 m -59.92 119.99 8.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 63.33 111.033 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.6 m -150.95 153.95 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 65.11 110.777 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.572 HD23 ' HG2' ' A' ' 1' ' ' MET . 0.5 OUTLIER -82.79 147.01 28.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 71.24 111.047 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 4' ' ' TYR . 42.2 mt -126.81 94.15 3.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.31 110.725 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.93 91.22 8.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 71.04 111.181 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 55' ' ' ILE . 1.7 mp -83.85 113.44 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 62.54 110.632 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.65 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -91.07 122.66 33.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.733 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -104.06 104.3 14.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 74.55 110.736 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.65 HG22 HD21 ' A' ' 56' ' ' LEU . 3.1 p -85.74 -173.78 4.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 73.54 110.97 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 74.52 111.261 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.3 mmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.782 0.325 . . . . 44.32 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -31.61 62.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 51.42 110.987 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.27 -28.4 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.866 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -74.81 -39.66 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 72.41 110.915 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.59 -53.68 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 51.15 111.075 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.3 mtt -52.04 -43.52 63.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.267 -0.424 . . . . 64.52 110.988 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.44 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 73.0 mtp180 -67.18 -21.2 65.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 73.01 111.0 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.9 p -105.13 -0.97 26.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 72.42 111.494 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.413 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -89.87 129.72 9.85 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.5 -0.857 . . . . 73.02 112.866 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 40.3 mm-40 -74.49 -22.3 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 62.32 110.804 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.443 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -160.28 171.31 36.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.987 -0.625 . . . . 55.32 112.245 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CE2' HG23 ' A' ' 100' ' ' ILE . 90.8 m-85 -135.25 139.9 44.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 64.54 111.027 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.729 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -117.6 120.63 38.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.833 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.41 ' HB3' HD12 ' A' ' 93' ' ' ILE . 5.6 m -91.03 112.91 25.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 74.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.475 ' O ' HD11 ' A' ' 93' ' ' ILE . 42.3 t -101.01 121.06 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 63.22 111.064 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.65 147.88 52.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.791 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.75 123.68 40.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 62.01 110.937 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' A' ' 123' ' ' ARG . 6.8 pt -61.12 -26.69 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.963 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.652 ' OD1' HD12 ' A' ' 120' ' ' LEU . 0.6 OUTLIER -87.44 -26.13 23.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.966 -0.561 . . . . 73.21 110.964 -179.806 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -103.4 110.18 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.38 -0.373 . . . . 73.43 110.937 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -71.61 -22.3 61.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 73.41 110.973 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -59.17 -41.04 87.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.857 0.36 . . . . 72.05 110.584 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.544 ' HB3' HG12 ' A' ' 14' ' ' VAL . 56.1 p -59.42 -47.38 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.027 -0.533 . . . . 64.13 110.613 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.44 ' CE2' ' HG2' ' A' ' 129' ' ' GLN . 43.5 t80 -56.72 -23.2 40.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.999 -0.546 . . . . 63.21 110.806 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -79.26 -52.32 8.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 72.41 111.072 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.765 ' CG ' ' HB2' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -69.97 -31.23 68.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 44.31 111.131 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.475 HD11 ' O ' ' A' ' 81' ' ' VAL . 11.9 mm -61.6 -26.83 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 120.806 0.336 . . . . 53.32 110.737 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -73.55 -55.41 6.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.218 -0.447 . . . . 64.45 110.628 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -66.18 -28.48 68.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 70.14 110.975 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -56.93 -44.23 82.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 72.54 110.934 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.473 ' HA ' HD12 ' A' ' 100' ' ' ILE . 7.6 ttt85 -59.8 -39.91 86.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.999 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.94 -32.8 68.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.31 111.035 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -36.1 82.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.417 . . . . 73.42 110.79 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.564 HG23 ' CE2' ' A' ' 78' ' ' PHE . 30.9 mt -67.63 -48.82 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -55.38 -29.63 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 74.44 111.018 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -71.24 -58.73 3.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 75.23 110.806 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 41.0 t -58.1 -58.97 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 74.45 110.94 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -59.85 -23.7 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.805 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.7 t70 62.62 45.96 5.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.268 -0.423 . . . . 70.03 110.757 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.73 141.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.867 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.55 -31.45 68.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 74.42 110.811 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -78.9 97.4 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 63.04 110.737 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.528 HG13 ' HD2' ' A' ' 110' ' ' PRO . 49.6 t -136.59 136.47 21.94 Favored Pre-proline 0 N--CA 1.452 -0.375 0 CA-C-N 116.188 -0.46 . . . . 54.42 110.925 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.528 ' HD2' HG13 ' A' ' 109' ' ' VAL . 57.3 Cg_endo -71.72 108.01 2.32 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.834 2.356 . . . . 64.41 112.207 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.846 ' HG3' HG21 ' A' ' 139' ' ' ILE . 13.8 ptp -150.67 169.89 20.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 73.25 110.883 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.74 HG23 HD22 ' A' ' 159' ' ' LEU . 48.9 t -145.25 145.87 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 73.13 111.138 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.96 113.48 26.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.712 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.643 HG21 ' HB1' ' A' ' 155' ' ' ALA . 21.9 t -107.05 147.61 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 33.12 111.321 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.42 83.63 0.33 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.878 -0.677 . . . . 73.24 112.422 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -64.94 171.06 3.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.824 0.345 . . . . 63.42 111.001 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.56 47.46 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 75.51 110.815 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.56 16.61 13.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 61.2 111.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -110.48 -30.11 7.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.745 0.307 . . . . 71.42 111.017 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.652 HD12 ' OD1' ' A' ' 85' ' ' ASN . 15.5 mt -49.23 162.67 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.437 . . . . 73.52 111.149 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -111.26 26.68 10.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 60.1 111.508 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.21 66.64 1.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 50.22 111.205 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.615 ' HB3' HD12 ' A' ' 84' ' ' ILE . 8.6 ptp85 -84.08 140.71 31.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 72.11 111.05 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.1 p -108.38 -43.9 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 74.31 110.783 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.428 HG13 ' HB3' ' A' ' 129' ' ' GLN . 98.4 t -92.83 106.91 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 33.34 110.876 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.77 163.82 23.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.861 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.3 p -56.97 -29.33 63.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 63.43 111.094 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 32.3 tpt85 -56.0 -53.99 50.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 72.54 110.851 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.44 ' HG2' ' CE2' ' A' ' 90' ' ' PHE . 2.8 tt0 -61.0 -46.6 90.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.061 -0.518 . . . . 64.42 110.931 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.92 69.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 62.21 111.186 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -33.08 62.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 63.45 111.021 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -54.23 -47.28 72.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 65.54 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.5 mt -67.12 -47.47 71.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 72.01 111.145 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -64.86 -32.41 74.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.418 . . . . 62.13 111.034 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -33.64 33.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.644 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.6 t -77.74 -33.06 53.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 51.13 110.713 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.507 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.9 m-85 -88.25 -14.41 38.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.037 -0.529 . . . . 64.24 111.147 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.47 21.32 72.85 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.676 -0.773 . . . . 50.54 112.576 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.846 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.9 pt -110.34 156.63 39.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 72.31 111.577 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.609 ' HG2' HG13 ' A' ' 112' ' ' VAL . 53.9 Cg_endo -70.65 156.8 60.29 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.53 2.153 . . . . 75.43 112.355 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -127.51 117.0 21.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 75.24 110.784 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.896 HD11 HG21 ' A' ' 158' ' ' THR . 2.1 mp -121.09 152.59 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 71.31 110.925 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.17 130.24 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.409 . . . . 45.5 110.899 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 151' ' ' GLY . 30.5 p -142.39 176.06 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.943 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 p -148.14 121.47 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.53 110.815 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.28 -24.26 62.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 34.41 111.515 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -77.06 -57.21 3.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.424 -0.353 . . . . 73.24 111.219 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 40.8 p -83.74 -23.42 31.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 55.31 111.398 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 68.02 64.06 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.99 0.424 . . . . 71.34 110.805 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -113.15 120.27 40.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.029 -0.532 . . . . 73.32 110.957 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.491 ' O ' HG22 ' A' ' 144' ' ' THR . . . 54.75 27.29 42.81 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.855 -0.688 . . . . 71.52 112.739 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.495 HG13 HD23 ' A' ' 19' ' ' LEU . 25.7 t -56.34 -56.09 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 65.53 111.236 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -64.93 -27.48 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.944 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -35.47 71.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 63.12 110.868 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.643 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -72.2 -43.71 64.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 55.52 111.094 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -64.24 -49.41 72.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.92 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -52.61 -40.45 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 73.41 111.375 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.896 HG21 HD11 ' A' ' 142' ' ' ILE . 7.2 m -54.75 -37.43 65.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.853 0.359 . . . . 72.33 111.005 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.74 HD22 HG23 ' A' ' 112' ' ' VAL . 0.4 OUTLIER -57.41 -47.08 82.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 75.55 110.699 179.572 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.884 HG11 HG13 ' A' ' 46' ' ' ILE . 8.1 t -56.35 -34.46 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 51.24 111.002 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -65.86 -48.46 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 70.34 110.907 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.31 -47.25 82.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 73.01 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 40.7 mt -58.99 -57.42 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.165 -0.471 . . . . 72.32 110.931 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -40.61 27.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.867 -0.606 . . . . 73.44 111.141 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -59.54 -33.87 71.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 61.53 110.824 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.256 -0.878 . . . . 72.0 110.888 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.843 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.797 0.332 . . . . 73.14 111.14 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -103.1 149.76 24.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 65.35 110.875 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -102.83 107.14 17.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 74.24 110.746 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -97.08 146.19 25.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 54.2 110.961 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.8 100.55 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.729 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.654 HD12 ' CD1' ' A' ' 55' ' ' ILE . 15.2 mt -97.93 123.73 42.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 74.11 111.178 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.427 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 94.1 t -105.15 102.23 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 116.162 -0.472 . . . . 73.41 110.807 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.42 ' CG1' ' HG2' ' A' ' 16' ' ' LYS . 6.0 t -85.75 132.91 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 25.43 111.199 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 79' ' ' LEU . 6.2 m -109.64 168.85 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 62.45 111.082 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.65 149.93 21.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 73.01 112.529 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.87 10.42 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.635 0.255 . . . . 75.53 111.534 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.56 58.02 2.0 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.615 -0.802 . . . . 70.44 112.687 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.38 43.23 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 44.53 112.547 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 81' ' ' VAL . 35.3 m -119.06 -6.35 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 111.764 0.283 . . . . 64.12 111.764 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.9 21.14 40.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 65.43 112.553 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HG2' ' CG1' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -59.94 -58.39 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 75.3 110.787 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.63 -30.87 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 72.32 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.648 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -68.05 -50.92 52.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 73.54 111.039 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.658 ' CD2' HG13 ' A' ' 152' ' ' VAL . 17.1 mt -53.64 -43.72 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 74.52 110.942 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.668 HG21 ' HB2' ' A' ' 57' ' ' ASP . 89.0 m -65.23 -52.37 55.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 62.21 110.74 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.6 -28.99 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.943 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -67.07 -38.39 85.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 74.45 110.894 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.76 -11.74 59.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 62.45 111.469 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.1 mm -114.27 -67.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.784 0.326 . . . . 64.42 111.411 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -80.78 -28.66 36.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.308 -0.405 . . . . 62.03 111.093 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.275 -0.421 . . . . 73.22 110.987 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.867 0.365 . . . . 64.14 110.85 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.74 165.18 27.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 61.01 110.822 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tttt -149.27 145.81 27.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 73.02 110.858 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -108.31 119.4 39.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 70.43 110.928 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 46' ' ' ILE . 29.5 m -135.08 -178.47 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 70.11 111.079 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.2 101.59 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 63.4 111.101 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.744 ' CD1' HG21 ' A' ' 160' ' ' VAL . 17.4 mt -115.01 131.48 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 75.23 111.014 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 61.78 32.59 18.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 53.21 110.852 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.7 28.45 71.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.7 -0.762 . . . . 70.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -142.91 112.83 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 73.25 110.857 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -58.83 123.21 15.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 44.02 110.881 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.48 ' HB3' HG22 ' A' ' 2' ' ' THR . 64.2 m -144.06 145.31 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.906 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.843 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.5 OUTLIER -78.72 149.78 32.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 72.2 110.894 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.3 mt -126.7 82.36 2.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.873 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.11 95.95 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 60.02 110.965 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.656 ' CG2' HG23 ' A' ' 20' ' ' THR . 19.2 mm -79.63 108.43 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 62.13 110.959 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -84.23 118.96 24.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.23 111.035 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.668 ' HB2' HG21 ' A' ' 20' ' ' THR . 67.7 t0 -109.65 76.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.762 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.2 p -75.37 -176.46 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 40.02 111.06 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.996 -0.547 . . . . 75.12 111.263 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.81 0.338 . . . . 63.53 110.945 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -67.42 -30.73 70.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 71.15 110.995 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.08 -27.35 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 75.22 110.664 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -72.49 -38.75 68.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 63.13 110.698 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -75.89 -45.48 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.916 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.8 mtt -54.36 -50.81 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.417 . . . . 72.25 110.722 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.41 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 62.7 mtp180 -62.58 -27.62 69.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.966 -0.561 . . . . 62.43 111.043 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.8 p -98.2 18.07 17.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.067 -0.515 . . . . 75.21 111.351 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.86 125.93 6.77 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.428 -0.891 . . . . 63.3 112.617 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 3.7 mm-40 -68.98 -27.72 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.711 0.291 . . . . 75.22 110.829 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.27 -171.12 18.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.797 -0.716 . . . . 71.54 112.373 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.569 ' CE2' HG23 ' A' ' 100' ' ' ILE . 98.8 m-85 -147.18 145.08 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 51.33 111.055 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.004 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -125.89 122.79 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 73.53 110.813 179.793 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.757 ' HB3' HD12 ' A' ' 93' ' ' ILE . 23.8 m -97.85 119.88 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.862 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.479 ' O ' HG21 ' A' ' 14' ' ' VAL . 38.4 t -107.34 105.96 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.12 111.121 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD1' ' HA2' ' A' ' 115' ' ' GLY . 0.1 OUTLIER -113.19 156.92 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.693 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.85 125.15 50.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 71.43 111.161 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.814 HD12 ' HB3' ' A' ' 123' ' ' ARG . 2.8 pt -61.4 -28.92 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.701 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 122' ' ' ALA . 9.3 t-20 -83.33 -24.82 31.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 71.24 110.743 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -105.51 102.43 11.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 63.03 110.974 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.5 m -64.07 -29.8 70.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 73.1 110.912 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -56.48 -43.15 79.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 72.44 111.018 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.2 p -58.95 -47.5 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 70.25 110.797 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -57.04 -29.55 63.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 74.42 110.793 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -79.82 -40.51 28.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 61.35 110.844 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.406 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 1.1 m-20 -69.96 -31.18 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.757 HD12 ' HB3' ' A' ' 80' ' ' CYS . 8.3 mm -63.84 -29.56 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.301 -0.409 . . . . 73.44 110.541 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -69.93 -55.46 9.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 73.11 110.441 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -66.06 -28.3 68.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 73.42 110.882 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 2.0 m-85 -61.88 -42.18 98.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 74.42 110.923 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HA ' HD12 ' A' ' 100' ' ' ILE . 7.4 ttt85 -57.15 -36.38 70.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 54.31 111.007 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.06 -29.92 67.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.95 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -44.42 80.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.422 . . . . 62.13 110.905 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.569 HG23 ' CE2' ' A' ' 78' ' ' PHE . 12.7 mt -60.29 -52.34 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 64.22 110.917 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -52.33 -25.92 10.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.239 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -73.97 -58.52 3.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 73.32 110.813 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.41 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 38.3 t -59.45 -53.25 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 61.3 110.977 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -65.0 -25.83 68.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 74.4 110.893 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.5 t0 64.57 45.11 3.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.969 0.414 . . . . 73.15 110.778 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -171.61 156.78 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 61.23 110.911 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -84.95 -36.26 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 44.12 110.778 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.47 97.74 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 64.22 110.845 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.527 HG13 ' HD2' ' A' ' 110' ' ' PRO . 61.0 t -131.63 136.21 28.12 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.661 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.527 ' HD2' HG13 ' A' ' 109' ' ' VAL . 57.3 Cg_endo -72.22 102.62 1.39 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.826 2.351 . . . . 45.5 112.322 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.567 ' HE2' HD13 ' A' ' 100' ' ' ILE . 18.2 ptp -147.05 168.96 20.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 60.12 110.918 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.615 HG23 HD22 ' A' ' 159' ' ' LEU . 48.3 t -143.52 144.48 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.09 -0.505 . . . . 61.53 111.159 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 114' ' ' VAL . 5.8 tp -107.31 125.97 51.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 74.33 110.662 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.619 ' N ' HD12 ' A' ' 113' ' ' LEU . 21.2 t -113.24 144.57 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 72.44 111.229 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.416 ' HA2' ' CD1' ' A' ' 82' ' ' PHE . . . -108.05 72.42 0.21 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.791 -0.719 . . . . 62.23 112.272 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.515 HD21 ' HB2' ' A' ' 146' ' ' ALA . 0.9 OUTLIER -55.41 172.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 64.44 111.129 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.805 ' CG ' HD12 ' A' ' 120' ' ' LEU . 0.0 OUTLIER 68.38 45.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 61.41 111.063 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.6 p -89.84 9.16 28.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 74.41 111.277 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -106.2 -37.1 6.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.8 0.333 . . . . 75.03 110.76 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.805 HD12 ' CG ' ' A' ' 117' ' ' LYS . 26.2 mt -55.62 137.14 49.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.45 110.97 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.57 39.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 72.31 111.217 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' A' ' 85' ' ' ASN . . . -143.48 34.56 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 54.33 111.001 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.814 ' HB3' HD12 ' A' ' 84' ' ' ILE . 7.8 ptp85 -54.48 144.73 20.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.405 . . . . 72.35 111.12 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 34.7 p -112.94 -43.37 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 70.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.39 102.66 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.906 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -56.72 162.97 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 75.05 111.057 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.7 m -58.48 -42.56 87.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 51.22 111.018 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -54.81 -48.29 72.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 72.01 110.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -62.19 -35.9 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.985 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.34 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 34.03 111.204 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.63 -35.37 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 74.32 110.992 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -58.41 -37.11 74.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 74.12 110.957 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.2 tp -74.77 -51.1 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.53 110.87 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.42 98.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.01 111.121 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -59.09 -30.75 68.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 72.13 111.02 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -39.7 64.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 71.33 110.67 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.41 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 20.5 m-85 -70.83 -21.45 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 74.23 111.094 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.58 16.93 65.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 71.23 112.524 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.512 HD13 ' HG3' ' A' ' 111' ' ' MET . 6.2 pt -112.54 157.2 40.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.672 0.272 . . . . 72.04 111.51 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HG2' HG13 ' A' ' 112' ' ' VAL . 43.2 Cg_endo -68.35 163.97 34.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.644 2.229 . . . . 73.03 112.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -137.87 118.4 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 74.52 110.898 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.922 HD11 HG21 ' A' ' 158' ' ' THR . 3.2 mp -117.53 154.34 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 63.34 111.035 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.412 ' N ' HG22 ' A' ' 142' ' ' ILE . 0.9 OUTLIER -116.4 130.35 56.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 61.54 110.723 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.1 p -145.05 -174.34 4.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 53.42 111.25 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.1 p -151.99 123.71 7.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.983 -0.553 . . . . 72.02 110.751 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.648 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.77 -27.66 63.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.22 111.511 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -79.33 -56.97 3.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.353 -0.385 . . . . 70.12 111.206 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 p -79.69 -22.48 43.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.206 -0.452 . . . . 62.32 111.124 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.99 60.35 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.994 0.426 . . . . 75.51 110.78 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.37 124.32 50.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.918 -0.583 . . . . 62.23 110.798 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 53.72 24.86 27.22 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.763 -0.732 . . . . 60.32 112.764 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.658 HG13 ' CD2' ' A' ' 19' ' ' LEU . 98.0 t -54.37 -56.02 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-O 120.819 0.342 . . . . 61.44 111.245 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 2.2 mp0 -66.0 -25.96 67.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.791 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -40.12 80.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 52.12 110.94 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.593 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -66.83 -49.05 66.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 62.3 111.07 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -61.4 -44.68 96.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.907 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.3 m-85 -56.12 -34.47 66.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 61.23 111.072 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.922 HG21 HD11 ' A' ' 142' ' ' ILE . 88.0 m -61.02 -38.4 85.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 65.31 110.872 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 1.004 HD23 HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -54.92 -39.45 68.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 64.23 111.004 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.744 HG21 ' CD1' ' A' ' 46' ' ' ILE . 21.6 t -61.53 -47.51 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 71.12 111.071 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -60.8 -27.1 67.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 71.44 110.993 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -74.36 -48.01 30.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 70.35 111.015 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.451 HG12 ' HB2' ' A' ' 110' ' ' PRO . 34.3 mt -65.64 -36.91 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.231 -0.44 . . . . 70.21 111.13 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.23 -26.73 68.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 74.55 111.334 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -96.46 -23.24 16.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.532 -0.304 . . . . 74.51 111.362 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.418 -0.801 . . . . 71.24 111.136 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.407 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.786 0.327 . . . . 75.41 111.188 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 t -85.97 149.76 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.948 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.66 130.19 54.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 74.23 110.877 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -129.3 124.24 33.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.968 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.51 99.35 12.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.772 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.542 ' HB2' HD13 ' A' ' 55' ' ' ILE . 3.9 mm? -82.59 104.78 13.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 72.42 111.144 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.8 t -94.43 102.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 63.45 110.98 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.4 t -93.46 139.29 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 75.25 111.108 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.2 m -121.12 179.67 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 65.5 110.928 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.32 174.01 38.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.59 -0.814 . . . . 54.44 112.561 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.503 ' HB2' ' CG ' ' A' ' 92' ' ' ASP . . . -112.54 21.07 16.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.676 0.274 . . . . 73.34 111.286 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.15 -77.4 0.52 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.607 -0.806 . . . . 53.41 112.658 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.22 50.76 3.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.882 -0.675 . . . . 64.32 112.894 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG12 ' HB3' ' A' ' 89' ' ' SER . 33.0 m -119.16 -4.86 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.614 0.227 . . . . 72.43 111.614 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.05 25.2 71.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.64 -0.79 . . . . 70.21 112.364 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -37.97 88.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 72.35 110.99 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 p -75.53 -30.15 59.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.34 110.861 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.791 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -57.2 -51.21 70.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 63.52 111.184 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' CD2' HG13 ' A' ' 152' ' ' VAL . 38.7 mt -58.88 -37.29 76.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 73.33 110.919 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.619 HG23 ' CG2' ' A' ' 55' ' ' ILE . 88.2 m -59.12 -55.89 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 73.51 110.744 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 25' ' ' GLN . 30.6 mm -68.88 -28.05 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 72.21 110.969 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.428 ' HB3' HG11 ' A' ' 152' ' ' VAL . 1.0 OUTLIER -58.18 -37.62 75.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 65.31 110.945 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.0 tp -76.04 -47.55 24.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 45.5 110.98 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mm -72.14 -65.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 75.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.591 ' O ' HG22 ' A' ' 21' ' ' ILE . 12.7 mt-30 -130.1 93.71 3.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 73.31 110.531 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 71.35 111.249 -179.634 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.814 0.34 . . . . 64.41 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -135.64 112.58 10.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 74.21 110.927 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.15 146.31 40.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.031 0.443 . . . . 74.23 110.914 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -108.37 127.06 53.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.911 -0.586 . . . . 75.43 110.893 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 53' ' ' LEU . 28.1 m -132.85 -179.5 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 72.1 111.087 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.1 t -124.19 100.79 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 75.02 111.072 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.882 HG13 HG11 ' A' ' 160' ' ' VAL . 12.6 mm -86.12 99.74 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 73.11 111.05 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 61.42 53.49 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 72.4 110.842 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.23 27.99 73.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 23.32 112.536 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -136.74 106.61 6.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 73.21 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.2 m -61.31 143.46 55.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 52.11 110.935 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -159.72 142.73 14.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 33.33 111.019 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.407 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -82.04 134.8 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 73.12 110.695 179.832 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.537 HD11 HG21 ' A' ' 44' ' ' VAL . 79.9 mt -121.68 109.26 14.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 52.12 110.899 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -100.97 97.78 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.834 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.619 ' CG2' HG23 ' A' ' 20' ' ' THR . 11.7 mm -85.96 112.28 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 62.54 111.076 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -90.24 129.35 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 73.02 110.633 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' HB3' HG21 ' A' ' 20' ' ' THR . 13.5 p-10 -108.78 104.79 14.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 74.32 110.627 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.407 HG22 HD21 ' A' ' 56' ' ' LEU . 11.2 p -75.38 -173.71 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 51.32 110.84 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 32.3 111.077 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.2 mtm . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.832 0.348 . . . . 71.32 110.831 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -55.82 -32.23 63.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 75.33 111.032 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.2 -30.99 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 45.01 110.637 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -68.0 -40.84 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 63.33 110.661 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -70.33 -32.02 69.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 61.11 111.037 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.657 ' CB ' HG11 ' A' ' 103' ' ' VAL . 1.1 mtt -61.19 -53.35 58.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 74.41 110.854 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.67 ' HG2' HG13 ' A' ' 103' ' ' VAL . 19.2 mtm105 -60.59 -22.95 64.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 64.54 110.929 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.1 p -109.55 19.2 19.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 62.32 111.254 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.49 154.47 16.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.579 -0.82 . . . . 71.44 112.652 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.56 4.54 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.687 0.28 . . . . 72.55 111.369 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.26 165.68 36.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.679 -0.772 . . . . 74.22 112.555 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.612 ' CE2' HG23 ' A' ' 100' ' ' ILE . 68.1 m-85 -140.37 144.22 36.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 72.21 110.955 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.753 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -125.0 120.33 31.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 65.34 110.887 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.81 ' HB3' HD12 ' A' ' 93' ' ' ILE . 33.1 m -92.31 115.28 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 70.22 110.929 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.08 114.58 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.01 111.026 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.432 ' HB3' HG13 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -121.84 148.89 44.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 74.3 110.728 179.874 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 86' ' ' ASN . . . -96.39 127.89 42.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 64.4 111.072 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' A' ' 123' ' ' ARG . 3.1 pt -59.07 -29.06 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 72.54 111.044 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 122' ' ' ALA . 45.4 t30 -86.31 -25.41 25.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.854 -0.612 . . . . 73.22 111.011 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 2.0 t-20 -101.02 96.5 7.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.359 -0.382 . . . . 62.13 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.4 m -62.31 -27.2 68.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 73.45 111.006 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -58.29 -36.39 73.24 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.886 0.374 . . . . 75.04 110.499 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.667 ' HB3' HG12 ' A' ' 14' ' ' VAL . 60.1 p -62.29 -51.37 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 71.32 110.49 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.416 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 76.2 t80 -55.22 -25.65 34.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.546 . . . . 74.43 110.961 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.9 -56.51 4.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 60.04 111.122 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.503 ' CG ' ' HB2' ' A' ' 11' ' ' ALA . 1.2 p30 -63.67 -33.41 75.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 75.5 111.176 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.81 HD12 ' HB3' ' A' ' 80' ' ' CYS . 14.9 mm -60.13 -26.26 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 116.486 -0.325 . . . . 73.33 110.919 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -74.98 -55.39 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 55.44 110.611 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -66.8 -28.4 68.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.967 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -57.04 -37.14 71.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 75.02 110.904 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.456 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.8 OUTLIER -58.43 -39.28 79.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.574 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -54.2 -32.25 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.971 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -40.39 95.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 65.13 110.729 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.612 HG23 ' CE2' ' A' ' 78' ' ' PHE . 9.9 mt -70.22 -34.1 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 64.13 110.99 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.524 ' HZ3' HG22 ' A' ' 109' ' ' VAL . 3.5 mmpt? -61.59 -35.4 77.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 71.22 110.896 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -74.52 -58.72 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.12 110.864 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.67 HG13 ' HG2' ' A' ' 73' ' ' ARG . 45.8 t -55.09 -57.56 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 64.24 111.102 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -66.02 -27.0 67.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 51.24 110.912 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.2 t70 62.33 47.19 5.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.68 139.31 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 71.3 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -71.33 -33.52 69.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 75.5 110.921 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -94.83 92.37 6.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.939 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.524 HG22 ' HZ3' ' A' ' 101' ' ' LYS . 24.6 m -121.1 152.63 57.11 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 61.43 111.013 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.31 102.9 1.43 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.614 2.21 . . . . 41.32 112.271 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.602 ' HE2' HD13 ' A' ' 100' ' ' ILE . 9.0 ptp -154.69 166.43 33.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.381 . . . . 63.44 111.098 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.696 HG13 ' HG2' ' A' ' 140' ' ' PRO . 23.5 t -144.16 151.59 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 73.24 111.086 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.9 tp -111.89 114.47 27.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.53 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.849 HG21 ' HB1' ' A' ' 155' ' ' ALA . 39.0 t -109.73 153.18 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 62.23 111.03 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -118.94 91.12 0.5 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 54.12 112.499 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.643 HD21 ' HB2' ' A' ' 146' ' ' ALA . 9.6 t-20 -71.34 177.63 3.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.333 . . . . 74.12 110.881 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.407 ' HB3' HD23 ' A' ' 120' ' ' LEU . 1.7 mttt 63.05 38.41 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.0 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 13.0 t -72.42 -24.52 61.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 72.52 110.983 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -72.97 -24.32 60.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 62.33 111.153 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.407 HD23 ' HB3' ' A' ' 117' ' ' LYS . 3.8 mm? -50.66 142.79 10.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.436 -0.347 . . . . 62.01 111.121 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.73 22.15 7.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 65.12 111.43 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.416 ' HB3' ' OD1' ' A' ' 85' ' ' ASN . . . -145.38 71.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.433 -0.349 . . . . 62.15 110.961 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.611 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -78.03 85.01 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 42.22 110.948 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 23.2 p -57.78 -33.86 68.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 72.43 110.806 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.2 t -103.59 95.09 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.114 -0.494 . . . . 62.4 110.82 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -55.04 167.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 63.14 111.012 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.1 p -63.64 -38.4 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 65.33 111.065 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -59.81 -52.7 64.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.941 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -56.02 -42.15 76.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 73.43 110.994 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.12 -31.23 64.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 70.22 111.043 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -38.71 81.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 64.11 110.864 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -34.36 71.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 71.02 110.905 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.414 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 24.2 tp -75.6 -50.47 15.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.9 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.24 82.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 73.21 111.13 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -62.52 -32.66 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.92 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -29.37 62.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 64.24 110.681 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.414 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 19.8 m-85 -86.39 -20.08 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 75.4 111.191 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.31 21.4 70.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.597 -0.811 . . . . 64.25 112.409 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 4.0 pt -114.46 156.58 44.36 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.719 0.295 . . . . 62.4 111.218 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.696 ' HG2' HG13 ' A' ' 112' ' ' VAL . 56.2 Cg_endo -70.38 149.25 62.66 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.569 2.18 . . . . 64.51 112.158 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -114.18 105.89 13.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.874 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.7 HD11 HG21 ' A' ' 158' ' ' THR . 3.1 mp -105.82 145.55 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 63.31 111.134 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -117.82 121.51 40.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.759 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 18.7 p -138.67 -179.78 6.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 75.35 111.055 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.34 128.27 16.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 72.12 110.82 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.791 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -70.66 -23.45 62.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 72.32 111.438 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -82.56 -66.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.853 0.358 . . . . 74.24 111.07 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.8 p -68.98 -23.2 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.53 111.113 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.411 ' CD ' HG21 ' A' ' 152' ' ' VAL . 0.0 OUTLIER 63.45 65.51 0.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.003 0.43 . . . . 71.42 110.792 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.26 121.2 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 72.22 110.912 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 62.14 18.52 57.85 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 64.44 112.805 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.431 HG13 ' CD2' ' A' ' 19' ' ' LEU . 27.0 t -55.25 -55.5 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.916 0.389 . . . . 75.3 111.141 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 6.3 mt-10 -63.66 -28.63 70.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.519 . . . . 71.44 110.865 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -58.2 -47.57 83.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 71.3 110.994 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.849 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -59.98 -48.1 83.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 61.14 111.084 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -59.78 -49.14 78.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 74.04 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 19.0 m-85 -54.64 -36.99 65.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 74.44 111.018 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.7 HG21 HD11 ' A' ' 142' ' ' ILE . 3.9 m -57.04 -38.42 73.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 75.35 110.941 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.753 HD23 HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -58.86 -44.2 91.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 61.15 110.808 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.882 HG11 HG13 ' A' ' 46' ' ' ILE . 11.2 t -59.07 -41.73 84.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 71.43 111.02 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -67.64 -28.83 68.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 73.24 110.942 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.86 -49.95 33.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 73.4 110.896 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 34.3 mt -57.57 -57.56 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 120.986 0.422 . . . . 75.41 110.973 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -33.32 54.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.868 -0.605 . . . . 74.03 111.015 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -31.9 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.756 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 81.0 t60 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.254 -0.879 . . . . 73.51 110.82 179.904 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.629 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.787 0.327 . . . . 64.33 111.19 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.444 HG22 ' HB3' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -92.74 149.66 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 63.15 110.774 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.42 108.8 20.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.865 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -98.9 124.3 43.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -98.41 97.2 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 75.52 110.656 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.965 HD23 HD23 ' A' ' 159' ' ' LEU . 0.6 OUTLIER -90.8 123.5 34.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 75.54 111.039 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.433 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 87.0 t -113.66 102.26 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 74.41 111.057 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.466 HG12 ' HG3' ' A' ' 16' ' ' LYS . 12.8 t -85.02 143.07 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.417 . . . . 54.55 110.949 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 79' ' ' LEU . 11.2 m -113.18 160.3 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 73.31 111.098 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.92 148.16 19.78 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.806 -0.711 . . . . 53.42 112.394 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.06 -17.61 13.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.68 0.276 . . . . 70.14 111.394 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.06 76.7 0.52 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.767 -0.73 . . . . 53.1 112.427 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.64 35.33 2.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 75.41 112.44 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.49 -26.37 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 72.25 111.201 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.4 25.09 7.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 31.52 112.488 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HG3' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -60.34 -58.37 8.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.868 0.365 . . . . 63.22 110.791 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -30.13 70.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 54.11 111.018 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.83 70.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.1 111.115 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.43 HD23 HG13 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -61.41 -36.36 80.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 73.21 110.936 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.447 HG23 HG22 ' A' ' 55' ' ' ILE . 62.7 m -58.38 -50.43 73.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 55.34 111.077 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.85 -32.11 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 73.31 110.779 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -64.38 -37.61 88.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 43.31 110.674 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.579 HD12 ' CD2' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -76.65 -15.26 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 73.42 111.322 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mm -106.56 -69.58 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.758 0.314 . . . . 73.55 111.524 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -84.82 -26.83 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 74.53 111.308 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 72.4 110.939 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.794 0.331 . . . . 72.0 110.773 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.84 115.09 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 73.11 110.899 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -106.18 149.47 26.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 73.52 110.849 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -100.93 120.23 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 63.23 110.967 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.408 HG22 ' HG ' ' A' ' 53' ' ' LEU . 14.0 m -133.63 178.01 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.401 . . . . 74.31 111.085 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 45' ' ' VAL . 7.9 p -119.46 102.74 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 63.54 111.155 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.907 HG13 HG11 ' A' ' 160' ' ' VAL . 5.3 mm -86.7 116.07 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 54.5 111.118 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 57.9 31.95 21.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 74.5 111.06 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.68 3.82 85.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 71.55 112.854 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -109.13 107.13 17.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.873 0.368 . . . . 73.15 110.768 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -58.8 119.84 7.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.867 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.444 ' HB3' HG22 ' A' ' 2' ' ' THR . 51.8 m -147.36 148.66 31.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 43.05 110.927 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.629 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -79.02 150.16 32.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 64.43 110.939 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' HG22 ' A' ' 44' ' ' VAL . 22.7 mt -126.59 87.69 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 72.52 110.854 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -81.58 92.12 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 71.03 110.943 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.804 HD13 HD13 ' A' ' 6' ' ' LEU . 23.4 mm -82.63 109.19 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 75.32 111.175 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.15 135.39 46.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 71.44 110.919 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HB2' HG21 ' A' ' 20' ' ' THR . 18.0 t70 -114.31 69.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.799 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.2 p -75.25 -173.76 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 72.11 110.759 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 61.12 111.192 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 16.2 ptp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.805 0.336 . . . . 73.42 111.083 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -55.56 -28.13 53.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.395 -0.366 . . . . 70.45 111.15 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -78.5 -29.46 46.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 55.31 111.065 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 74' ' ' THR . 4.2 pt20 -76.26 -34.36 59.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.777 0.322 . . . . 73.45 110.954 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -78.42 -56.83 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 75.01 110.773 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.5 mtt -51.72 -48.44 63.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 62.31 110.874 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -60.81 -22.16 63.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 72.35 110.94 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 70' ' ' GLN . 53.8 p -103.4 -1.14 29.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.47 . . . . 65.23 111.371 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.433 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -92.22 130.03 10.12 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.629 -0.796 . . . . 74.04 112.907 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.02 -22.4 58.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 73.31 110.677 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 179.56 30.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.873 -0.68 . . . . 74.32 112.192 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.433 ' CD1' ' HB ' ' A' ' 7' ' ' VAL . 93.1 m-85 -148.9 136.4 20.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 73.42 110.928 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.607 HD12 HD22 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -117.17 125.22 50.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 72.13 110.784 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.513 ' O ' HD12 ' A' ' 113' ' ' LEU . 16.5 m -97.09 115.53 27.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 64.31 110.925 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.8 t -102.6 109.06 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 61.05 111.216 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.66 141.89 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 63.35 110.611 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.28 123.64 34.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 73.44 111.164 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.637 HD12 ' HB2' ' A' ' 123' ' ' ARG . 6.8 pt -65.14 -28.96 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 61.13 110.781 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' HG13 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -82.2 -31.05 30.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 42.24 110.584 179.764 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.18 103.53 13.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 71.24 110.991 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.448 HG23 HG22 ' A' ' 125' ' ' VAL . 11.0 m -66.86 -26.04 66.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.907 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -56.82 -49.9 74.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 70.52 111.138 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 p -54.45 -38.38 66.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 41.01 111.043 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -57.33 -29.0 63.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 64.55 110.904 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.87 -41.75 51.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.835 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.61 -32.24 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.842 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.429 HD12 ' HB3' ' A' ' 80' ' ' CYS . 11.0 mm -63.92 -25.75 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 116.352 -0.385 . . . . 75.33 110.747 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -75.86 -50.51 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.616 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -28.94 62.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.15 111.031 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.6 -41.36 98.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 74.3 110.805 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.433 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 59.9 ttt-85 -60.34 -42.06 94.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 63.53 110.807 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.45 -27.54 68.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 72.44 111.195 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -38.29 83.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.331 -0.395 . . . . 74.15 110.971 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.588 HD12 ' HE1' ' A' ' 111' ' ' MET . 63.8 mt -60.93 -58.9 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 75.13 110.978 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -53.71 -37.92 63.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 74.15 111.07 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -57.54 -58.02 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 62.34 111.187 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 p -72.14 -30.9 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 62.24 111.409 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.421 ' HG3' HG22 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -77.74 -19.12 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 62.53 111.218 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 t70 65.8 48.45 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 74.4 110.729 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.48 122.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.906 -0.588 . . . . 74.32 110.737 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.48 -25.17 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 72.34 111.156 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -102.55 99.95 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.368 -0.378 . . . . 62.12 111.165 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.518 HG21 ' CG2' ' A' ' 100' ' ' ILE . 28.1 m -125.74 153.14 73.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 51.22 110.994 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.64 102.05 1.25 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.582 2.188 . . . . 74.44 112.35 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.588 ' HE1' HD12 ' A' ' 100' ' ' ILE . 16.8 ptp -147.11 168.46 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 54.34 110.944 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.685 HG13 ' HG2' ' A' ' 140' ' ' PRO . 41.6 t -143.77 147.72 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 64.14 111.196 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.574 HD23 ' HB2' ' A' ' 134' ' ' ALA . 13.9 tp -107.62 131.2 54.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 75.41 110.765 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 1.021 HG21 ' HB1' ' A' ' 155' ' ' ALA . 57.4 t -128.18 152.28 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 63.04 111.165 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.26 88.36 0.48 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.909 -0.662 . . . . 42.41 112.351 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -67.38 171.94 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 50.32 111.137 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.1 mttp 63.84 41.9 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 73.13 110.952 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 26.3 t -83.24 -16.29 47.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.54 111.213 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -84.89 -19.25 32.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.51 -0.314 . . . . 65.51 111.349 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.93 178.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.714 0.292 . . . . 45.13 111.166 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.61 23.74 7.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 72.42 111.321 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.4 74.55 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 61.21 110.99 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.637 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -84.5 114.99 22.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 41.14 110.795 -179.78 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 36.7 p -89.1 -65.05 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 71.22 110.657 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.448 HG22 HG23 ' A' ' 87' ' ' THR . 39.3 t -70.65 99.47 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.894 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.09 156.08 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 73.13 111.186 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.8 t -55.35 -28.3 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 72.12 110.913 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.51 -52.19 65.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.273 -0.421 . . . . 72.21 110.741 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.5 -47.44 85.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.123 -0.489 . . . . 73.22 110.851 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.71 99.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 52.2 111.035 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.49 -35.76 77.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 75.41 110.921 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.26 -31.27 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 61.34 110.823 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.409 HD23 HD21 ' A' ' 113' ' ' LEU . 13.1 tp -80.35 -51.45 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 50.53 110.927 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.574 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -62.06 -43.47 98.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 64.33 111.114 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -63.19 -29.3 70.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 65.42 111.132 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.4 m -73.96 -34.86 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.871 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 20.5 m-85 -79.33 -15.57 57.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 74.11 111.222 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.69 19.34 71.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.665 -0.778 . . . . 63.11 112.564 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.49 HG21 ' HG3' ' A' ' 111' ' ' MET . 19.2 pt -112.53 154.6 44.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 73.05 111.296 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.685 ' HG2' HG13 ' A' ' 112' ' ' VAL . 43.5 Cg_endo -67.89 150.48 78.37 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.557 2.171 . . . . 61.11 112.305 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -119.27 116.9 27.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 65.42 110.913 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.884 HD11 HG21 ' A' ' 158' ' ' THR . 2.0 mp -117.06 150.64 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 74.33 111.088 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -113.61 127.72 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 73.33 110.746 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 151' ' ' GLY . 10.7 p -140.3 175.79 9.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.942 0.401 . . . . 71.32 111.161 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.6 t -150.52 124.57 9.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 30.22 110.646 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.07 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 55.01 111.54 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -68.19 -66.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 74.13 111.161 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 14.9 t -83.51 -19.59 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.476 -0.329 . . . . 64.44 111.517 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 70.1 37.3 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 70.33 110.737 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.38 126.18 31.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 74.4 110.962 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.528 ' O ' HG22 ' A' ' 144' ' ' THR . . . 55.11 24.7 36.62 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.929 -0.653 . . . . 72.34 112.821 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.43 HG13 HD23 ' A' ' 19' ' ' LEU . 2.3 t -60.7 -55.3 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-O 120.872 0.368 . . . . 54.51 110.688 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.02 -31.38 72.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 51.33 110.68 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -45.34 83.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 72.24 110.958 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 1.021 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -58.27 -47.74 82.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 53.33 111.267 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.579 ' CD2' HD12 ' A' ' 23' ' ' LEU . 70.2 m-85 -72.73 -44.74 61.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 73.4 110.967 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -56.68 -35.49 68.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 55.53 110.979 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.884 HG21 HD11 ' A' ' 142' ' ' ILE . 92.4 m -60.07 -36.88 78.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 63.23 110.919 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.965 HD23 HD23 ' A' ' 6' ' ' LEU . 34.1 tp -67.59 -30.64 70.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.831 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.907 HG11 HG13 ' A' ' 46' ' ' ILE . 21.9 t -58.13 -39.42 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 74.41 111.044 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -76.36 -28.9 56.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 64.24 110.872 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -70.32 -48.35 56.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.013 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.48 -39.76 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 116.367 -0.379 . . . . 60.33 111.266 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -44.73 89.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.409 . . . . 62.01 110.957 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -55.51 -29.96 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 62.23 111.051 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.192 -0.908 . . . . 74.33 110.889 179.912 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.814 0.34 . . . . 64.54 111.289 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.09 149.76 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.714 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -110.57 122.97 49.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 61.31 110.866 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -107.48 134.46 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.949 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -112.22 92.08 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 73.22 110.555 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.724 HD22 HD12 ' A' ' 159' ' ' LEU . 9.7 mt -88.81 131.98 34.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.13 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.404 HG21 ' HA3' ' A' ' 75' ' ' GLY . 95.9 t -104.91 107.79 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 64.43 111.008 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -91.81 139.27 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 73.23 111.065 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 79' ' ' LEU . 4.5 m -117.71 175.28 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 53.33 111.047 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.29 154.0 23.04 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 63.31 112.48 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.85 16.53 13.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 65.02 111.439 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.65 -15.06 61.29 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.649 -0.786 . . . . 74.11 112.938 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.1 50.62 0.47 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.575 -0.822 . . . . 32.3 112.7 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -117.45 -8.29 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.668 0.247 . . . . 51.35 111.668 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.98 32.95 42.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.66 -0.781 . . . . 72.34 112.573 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -30.87 69.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.772 0.32 . . . . 61.31 110.948 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.54 -36.46 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 73.45 110.904 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -58.64 -59.57 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 63.35 111.134 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.565 HD21 HG11 ' A' ' 81' ' ' VAL . 2.8 pp -56.41 -26.72 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 70.34 110.986 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.847 HG23 HG21 ' A' ' 55' ' ' ILE . 75.8 m -71.66 -58.88 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 74.14 110.83 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.82 -30.44 42.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 74.13 111.117 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 11.2 mm-40 -65.07 -44.75 87.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 73.42 110.645 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.706 HD13 ' CD2' ' A' ' 156' ' ' PHE . 0.6 OUTLIER -76.78 -2.91 35.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 63.33 111.449 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.0 mm -114.83 -65.83 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.839 0.352 . . . . 74.44 111.399 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.06 20.98 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 71.04 111.844 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 3.0 p-10 . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 120.792 0.33 . . . . 52.53 111.484 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.831 0.348 . . . . 75.4 110.747 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -128.25 106.46 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.889 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' O ' HD13 ' A' ' 52' ' ' LEU . 9.1 tttm -114.14 146.08 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 61.12 110.819 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -102.9 117.53 34.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.951 -0.568 . . . . 64.24 110.624 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 53' ' ' LEU . 33.0 m -127.69 177.79 5.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 71.52 111.156 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.34 100.9 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.096 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.888 HG13 HG11 ' A' ' 160' ' ' VAL . 16.6 mm -81.56 99.66 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 62.24 111.166 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 t70 57.32 31.98 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.06 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.63 -28.26 16.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.73 -0.748 . . . . 74.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.75 113.0 15.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 63.5 110.951 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.6 m -78.67 121.79 25.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 55.23 110.85 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.8 m -151.23 150.4 30.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 54.05 111.019 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -78.62 150.43 32.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 53.22 110.467 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.555 HD11 HG21 ' A' ' 44' ' ' VAL . 45.7 mt -123.59 96.97 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 72.14 111.013 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.92 100.55 13.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.802 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.847 HG21 HG23 ' A' ' 20' ' ' THR . 22.2 mm -93.09 110.46 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 61.21 111.074 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.544 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -92.26 117.15 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.11 110.577 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -99.15 107.95 20.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.22 110.875 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.544 HG22 HD21 ' A' ' 56' ' ' LEU . 6.4 p -93.09 -173.82 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 64.41 110.797 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 75.42 111.109 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.891 0.377 . . . . 73.23 110.785 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -59.6 -39.24 83.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 61.11 110.846 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -70.37 -31.22 68.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.511 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -63.5 -42.26 98.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 73.24 110.583 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -69.03 -30.77 69.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.009 -0.541 . . . . 72.34 111.083 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.606 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.1 mtt -62.49 -58.19 8.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.796 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.415 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 50.0 mtp85 -55.67 -27.06 47.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 73.32 110.957 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.9 p -106.42 19.33 20.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 65.34 111.202 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.404 ' HA3' HG21 ' A' ' 7' ' ' VAL . . . -108.94 113.65 3.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.608 -0.806 . . . . 53.55 112.635 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.23 -29.44 68.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.864 0.364 . . . . 71.43 110.819 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.43 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -149.73 -173.3 20.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.938 -0.648 . . . . 74.51 112.239 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -151.58 136.55 17.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 74.42 111.169 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.976 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -120.5 124.69 46.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 75.45 110.807 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.877 ' HB3' HD12 ' A' ' 93' ' ' ILE . 58.3 m -98.49 108.46 21.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.875 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.565 HG11 HD21 ' A' ' 19' ' ' LEU . 41.2 t -100.76 119.37 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 61.44 111.159 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.56 144.44 46.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.714 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.22 127.94 36.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.406 . . . . 74.23 111.178 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.871 HD12 ' CB ' ' A' ' 123' ' ' ARG . 5.6 pt -59.63 -30.85 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 63.31 110.976 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -79.65 -3.32 46.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 64.23 111.335 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -122.67 100.62 7.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.854 0.359 . . . . 73.41 110.917 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -63.85 -26.72 68.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 73.23 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -66.4 -42.08 88.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 73.43 110.595 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.1 m -60.93 -38.2 84.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 73.54 110.85 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -60.77 -49.38 77.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 71.13 110.852 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.8 -29.73 68.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 64.23 110.97 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' A' ' 95' ' ' GLN . 8.1 m-20 -70.52 -31.4 68.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 70.11 110.923 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.877 HD12 ' HB3' ' A' ' 80' ' ' CYS . 33.3 mm -61.5 -29.51 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 43.31 110.702 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -71.27 -52.83 16.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 54.21 110.706 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -71.99 -28.38 63.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 74.44 111.049 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 1.8 m-85 -64.22 -53.68 45.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 73.12 111.002 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.544 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -56.55 -35.69 68.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 74.52 111.155 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -59.86 -33.43 71.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 73.32 110.941 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -33.35 75.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 65.35 110.872 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.677 HD13 ' HE3' ' A' ' 111' ' ' MET . 33.5 mt -68.17 -44.14 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.99 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -58.63 -28.53 65.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 72.12 110.924 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -74.41 -58.23 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.932 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.606 HG11 ' HB2' ' A' ' 72' ' ' MET . 41.6 t -58.54 -58.59 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.86 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -61.0 -24.35 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 72.33 110.879 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.1 t0 63.15 35.09 13.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 62.1 110.7 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.08 138.14 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 73.34 110.914 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -71.38 -29.05 64.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.889 -0.596 . . . . 61.25 110.671 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.02 100.25 11.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.758 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.529 HG13 ' HD2' ' A' ' 110' ' ' PRO . 59.7 t -139.21 137.06 18.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.762 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.529 ' HD2' HG13 ' A' ' 109' ' ' VAL . 58.5 Cg_endo -72.32 102.82 1.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.758 2.306 . . . . 72.34 112.379 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.814 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -146.17 163.73 34.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 61.13 111.066 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.586 HG23 HD22 ' A' ' 159' ' ' LEU . 43.7 t -141.95 146.86 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 73.44 111.231 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.602 HD22 HG21 ' A' ' 93' ' ' ILE . 7.7 tp -107.69 111.85 24.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 75.34 110.742 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.758 HG22 ' HB1' ' A' ' 155' ' ' ALA . 15.9 t -98.68 144.53 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 72.14 111.268 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.1 80.06 0.26 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.76 -0.733 . . . . 74.24 112.414 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.544 HD21 ' HB2' ' A' ' 146' ' ' ALA . 4.5 t-20 -63.12 174.61 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 63.24 110.978 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.467 ' HB3' HD23 ' A' ' 120' ' ' LEU . 2.0 mttp 61.74 48.85 5.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 73.54 110.933 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.1 t -82.26 -6.27 59.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 71.54 111.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -97.24 -22.4 16.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.644 0.259 . . . . 72.41 111.087 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 117' ' ' LYS . 3.8 mm? -48.84 133.98 17.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.49 -0.323 . . . . 51.25 111.09 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.41 26.48 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 74.04 111.313 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.83 36.9 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.428 -0.351 . . . . 71.31 111.109 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.871 ' CB ' HD12 ' A' ' 84' ' ' ILE . 12.1 ptm180 -55.86 128.59 35.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 73.33 110.976 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.9 p -98.63 -38.19 9.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.813 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 50.2 t -105.56 94.18 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.098 -0.501 . . . . 74.02 111.077 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.71 158.57 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.303 -0.408 . . . . 72.41 110.882 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.0 p -58.88 -23.71 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 45.45 111.106 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -62.81 -52.92 61.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 73.1 110.959 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.59 -35.36 78.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.976 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.0 70.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 72.33 111.216 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -40.62 94.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 72.32 110.869 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.41 -46.31 83.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 73.52 110.942 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.556 HD13 ' C ' ' A' ' 133' ' ' LEU . 3.0 tm? -62.57 -51.04 68.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 74.32 111.023 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.415 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -65.47 -38.02 88.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 54.51 111.219 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -65.05 -27.45 68.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 64.33 111.105 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.91 -28.92 61.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 71.03 110.775 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.552 ' HE2' HD11 ' A' ' 133' ' ' LEU . 21.0 m-85 -85.35 -21.48 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 74.14 111.177 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.46 15.52 63.89 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.632 -0.794 . . . . 51.45 112.627 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.814 HG21 ' HG2' ' A' ' 111' ' ' MET . 22.0 pt -107.17 152.49 41.14 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 120.719 0.295 . . . . 72.45 111.297 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.433 ' HG2' HG13 ' A' ' 112' ' ' VAL . 37.6 Cg_endo -66.24 155.5 69.52 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.538 2.159 . . . . 62.1 112.255 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -130.56 117.94 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 75.11 110.862 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.844 HD11 HG21 ' A' ' 158' ' ' THR . 5.1 mp -122.05 144.63 30.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 55.04 110.909 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -111.21 127.82 55.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 72.55 110.671 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 23.6 p -139.84 179.24 6.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 74.42 111.158 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 p -141.43 119.39 11.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.933 -0.576 . . . . 55.12 110.661 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.544 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -74.23 -22.85 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 54.35 111.483 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -86.2 -45.29 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 65.3 111.178 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.09 -12.54 30.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 73.32 111.448 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.507 ' HD3' HG21 ' A' ' 152' ' ' VAL . 1.1 tpt85 57.39 73.77 0.45 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.912 0.386 . . . . 63.11 110.901 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -125.08 113.47 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 43.03 110.839 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 57.52 20.29 37.56 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 32.12 112.763 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.507 HG21 ' HD3' ' A' ' 149' ' ' ARG . 33.2 t -54.78 -55.22 16.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.873 0.368 . . . . 45.41 111.061 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.611 ' HG2' HD12 ' A' ' 23' ' ' LEU . 82.4 mt-10 -60.12 -25.76 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 72.44 110.797 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -57.72 -52.17 66.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 70.3 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.758 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -57.99 -45.06 87.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 64.43 111.123 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.706 ' CD2' HD13 ' A' ' 23' ' ' LEU . 12.4 m-85 -58.81 -52.01 67.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.971 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.72 -31.42 58.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.119 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.844 HG21 HD11 ' A' ' 142' ' ' ILE . 2.5 m -59.25 -40.25 85.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 41.44 110.826 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.976 HD23 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -59.32 -42.75 92.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 74.41 110.929 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.888 HG11 HG13 ' A' ' 46' ' ' ILE . 11.3 t -60.38 -40.61 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 72.32 110.978 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -68.42 -30.33 69.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 74.24 110.91 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.97 -48.91 61.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 52.32 110.933 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 76.7 mt -57.74 -52.66 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.223 -0.444 . . . . 73.45 111.354 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -37.38 36.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 64.03 111.152 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -60.64 -31.55 70.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.823 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.251 -0.88 . . . . 61.32 110.795 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.623 ' SD ' HD23 ' A' ' 52' ' ' LEU . 31.7 ttm . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.938 0.399 . . . . 51.34 111.13 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.84 149.71 52.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.079 -0.51 . . . . 75.41 110.601 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -94.78 118.51 31.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 71.41 110.777 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -107.27 105.86 16.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 74.42 111.017 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.2 104.75 8.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 71.02 110.731 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.765 HD13 HD13 ' A' ' 55' ' ' ILE . 0.6 OUTLIER -96.42 127.3 42.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 70.13 111.146 -179.748 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.422 HG23 ' HA3' ' A' ' 75' ' ' GLY . 89.6 t -106.27 107.57 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.923 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.0 t -86.55 139.45 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 55.34 111.082 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.49 166.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 70.41 111.085 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.4 -73.36 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.686 -0.768 . . . . 23.13 112.568 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.533 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . -176.59 -172.44 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 73.42 111.089 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.95 28.13 16.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 74.33 112.472 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.2 44.61 0.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.841 -0.695 . . . . 71.2 112.357 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.533 HG13 ' HB3' ' A' ' 11' ' ' ALA . 3.6 m -111.01 -25.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 34.24 111.436 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.45 23.27 5.49 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.707 -0.759 . . . . 65.44 112.311 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.82 -46.51 81.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 71.13 111.055 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.529 ' O ' HD12 ' A' ' 21' ' ' ILE . 14.5 m -56.82 -51.4 69.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 61.44 110.976 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.711 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -58.32 -40.69 82.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 62.21 111.083 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.715 HD23 HG13 ' A' ' 152' ' ' VAL . 2.9 mt -63.34 -42.1 98.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 70.34 110.994 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.675 HG23 ' CG2' ' A' ' 55' ' ' ILE . 84.9 m -66.08 -46.71 76.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 75.22 111.131 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 17' ' ' SER . 1.5 mp -65.59 -34.43 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.315 -0.402 . . . . 73.53 110.9 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.536 ' CB ' HG11 ' A' ' 152' ' ' VAL . 29.1 mm-40 -59.65 -39.59 84.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.357 -0.383 . . . . 62.5 110.713 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -76.64 -5.8 49.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 75.32 111.298 179.803 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.1 mm -116.45 -71.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.7 0.286 . . . . 74.41 111.399 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -83.49 -24.91 31.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.02 111.261 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 70.44 111.202 179.829 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.871 0.367 . . . . 72.13 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -143.59 113.9 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 72.45 110.815 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -119.52 147.44 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 53.21 111.072 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -106.76 118.89 37.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.976 -0.556 . . . . 72.31 110.703 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 53' ' ' LEU . 35.9 m -134.15 178.51 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 71.34 111.211 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -121.21 100.82 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 73.33 111.21 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.761 HD12 HG11 ' A' ' 160' ' ' VAL . 36.2 mt -115.98 133.51 62.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.895 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t0 67.19 31.47 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 54.1 110.786 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.65 31.12 78.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 74.11 112.649 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -147.54 113.85 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 62.14 110.802 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.8 m -60.24 123.69 17.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 71.1 110.773 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 97.8 m -145.66 144.03 30.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 73.2 110.99 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.623 HD23 ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -78.46 143.35 36.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.125 -0.489 . . . . 64.41 110.791 179.81 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.458 HD11 HG21 ' A' ' 44' ' ' VAL . 60.3 mt -119.66 104.61 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 53.11 110.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -90.96 96.55 10.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 74.41 110.814 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.765 HD13 HD13 ' A' ' 6' ' ' LEU . 14.5 mm -86.46 108.71 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 71.21 111.061 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.542 HD21 HG22 ' A' ' 58' ' ' THR . 2.6 tt -102.58 131.93 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 72.52 110.756 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.47 104.35 9.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.649 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.542 HG22 HD21 ' A' ' 56' ' ' LEU . 8.1 p -75.4 -175.85 2.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 75.55 110.925 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 73.13 111.176 -179.901 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.0 mmt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.745 0.307 . . . . 63.31 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -58.29 -37.86 75.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 73.31 110.791 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.32 -29.32 63.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 71.35 110.782 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -67.46 -50.81 57.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 74.21 110.735 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -55.81 -40.61 72.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 74.1 111.262 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mtt -59.76 -55.65 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 61.11 110.881 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.452 ' CG ' HG13 ' A' ' 103' ' ' VAL . 7.7 mtt-85 -61.88 -19.33 62.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 62.34 111.287 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.4 p -104.04 -2.57 25.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.511 -0.313 . . . . 73.0 111.533 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.422 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -101.62 122.34 7.53 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.527 -0.845 . . . . 20.34 112.672 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.1 -29.93 70.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 73.3 110.748 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.34 -167.07 12.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.92 -0.657 . . . . 53.05 112.32 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.488 ' CE2' HG23 ' A' ' 100' ' ' ILE . 96.6 m-85 -151.34 139.16 19.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.919 0.39 . . . . 73.33 111.124 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.816 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -120.41 123.24 42.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 72.53 110.666 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.823 ' HB3' HD12 ' A' ' 93' ' ' ILE . 48.4 m -100.87 114.41 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 73.14 111.027 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.481 HG11 HD12 ' A' ' 19' ' ' LEU . 62.4 t -109.09 110.24 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 64.41 111.093 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.401 ' CD1' HD11 ' A' ' 113' ' ' LEU . 3.0 p90 -123.11 143.2 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 64.02 110.519 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.04 123.68 31.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 70.43 111.078 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.914 HD12 ' HB3' ' A' ' 123' ' ' ARG . 7.3 pt -57.28 -31.66 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 71.05 111.088 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -75.07 -31.62 61.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.576 . . . . 72.15 111.051 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -101.26 104.69 15.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 63.51 111.049 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.511 HG23 HG22 ' A' ' 125' ' ' VAL . 7.4 m -68.52 -21.72 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 75.52 111.022 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -61.39 -43.77 98.3 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.389 -0.369 . . . . 54.21 110.866 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -59.11 -38.83 80.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.296 -0.411 . . . . 54.53 110.823 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.424 ' CE1' HD22 ' A' ' 133' ' ' LEU . 25.0 t80 -60.16 -28.79 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 75.31 110.861 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -71.88 -34.04 68.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 63.43 110.983 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.3 -32.62 66.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 74.42 110.87 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.823 HD12 ' HB3' ' A' ' 80' ' ' CYS . 29.3 mm -59.61 -25.57 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 71.12 111.021 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -77.94 -55.37 5.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 64.31 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -28.42 68.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 71.53 111.013 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.32 -44.34 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.356 . . . . 74.23 110.854 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -43.13 82.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 63.24 110.915 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.92 -38.49 79.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 62.31 110.921 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -38.73 86.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.7 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.488 HG23 ' CE2' ' A' ' 78' ' ' PHE . 61.7 mt -65.47 -50.84 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 62.32 110.856 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -40.46 58.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 73.01 110.933 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -58.9 5.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.225 -0.443 . . . . 71.24 111.04 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.452 HG13 ' CG ' ' A' ' 73' ' ' ARG . 72.6 t -56.73 -59.46 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 64.24 111.085 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.6 OUTLIER -59.61 -23.22 62.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 54.31 110.763 179.76 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.1 t0 63.15 42.84 6.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 74.03 110.829 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.28 137.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.517 . . . . 73.51 110.938 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.31 -32.08 73.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.814 -0.63 . . . . 73.25 110.769 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -76.64 96.94 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 64.11 110.661 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.501 HG13 ' HD2' ' A' ' 110' ' ' PRO . 48.4 t -135.88 136.44 23.28 Favored Pre-proline 0 N--CA 1.453 -0.297 0 CA-C-N 116.218 -0.446 . . . . 72.11 110.946 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.501 ' HD2' HG13 ' A' ' 109' ' ' VAL . 57.6 Cg_endo -73.05 101.06 1.29 Allowed 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.741 2.294 . . . . 73.44 112.164 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.513 ' HG3' HG21 ' A' ' 139' ' ' ILE . 18.3 ptp -141.73 165.89 26.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 55.32 111.103 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.595 HG23 HD22 ' A' ' 159' ' ' LEU . 57.6 t -142.19 146.44 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 40.31 110.936 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 80' ' ' CYS . 8.1 tp -109.44 107.0 16.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 64.52 110.901 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.759 HG22 ' HB1' ' A' ' 155' ' ' ALA . 17.5 t -94.43 150.52 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 74.2 111.17 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -121.32 84.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.819 -0.705 . . . . 53.12 112.38 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.502 HD21 ' HB2' ' A' ' 146' ' ' ALA . 1.7 t-20 -66.83 172.85 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 74.03 111.035 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.674 ' HB3' HD11 ' A' ' 120' ' ' LEU . 0.3 OUTLIER 57.54 67.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 73.52 111.032 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.9 t -110.34 -19.55 12.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 64.53 111.114 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.93 -54.9 23.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.429 -0.35 . . . . 72.43 111.077 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.699 ' H ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -53.79 162.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 63.13 111.147 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.81 39.9 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 63.03 111.106 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -131.44 60.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 71.14 110.977 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.914 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -91.36 146.12 24.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 75.51 111.134 -179.806 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.4 p -108.43 -39.66 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.617 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.511 HG22 HG23 ' A' ' 87' ' ' THR . 38.7 t -95.47 101.22 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 61.43 110.967 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -55.78 161.69 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 71.14 111.128 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.7 t -61.4 -42.99 99.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 65.2 111.092 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -54.14 -46.11 72.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.92 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -60.19 -41.7 93.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.889 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.7 -30.46 64.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 53.12 110.959 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -73.14 -35.07 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 63.24 110.896 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.88 -31.86 72.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 60.21 110.913 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.424 HD22 ' CE1' ' A' ' 90' ' ' PHE . 14.6 tp -78.68 -51.41 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 72.51 110.979 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.18 -51.43 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 54.35 111.113 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -58.29 -25.34 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 72.24 111.093 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.51 -28.98 59.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 72.23 110.794 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.411 ' HB2' HG12 ' A' ' 139' ' ' ILE . 25.3 m-85 -94.52 -5.06 46.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 74.24 111.42 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.84 23.83 77.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 55.34 112.486 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.513 HG21 ' HG3' ' A' ' 111' ' ' MET . 17.6 pt -111.94 154.16 44.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 75.33 111.354 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.51 167.36 22.78 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.608 2.205 . . . . 72.53 112.369 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -143.55 106.81 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 60.53 110.784 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.956 HD11 HG21 ' A' ' 158' ' ' THR . 2.2 mp -112.71 153.69 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 65.31 111.088 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -120.2 139.09 53.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 74.43 110.951 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 151' ' ' GLY . 16.3 p -147.81 -177.9 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 73.4 110.989 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.8 p -146.03 114.59 6.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 53.43 110.709 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.711 ' HB1' ' CB ' ' A' ' 18' ' ' ALA . . . -66.32 -19.19 65.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 62.44 111.451 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -83.0 -66.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.501 -0.318 . . . . 55.22 111.092 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.8 p -75.43 -20.61 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 65.34 111.227 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 65.26 66.3 0.55 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.936 0.398 . . . . 75.5 110.891 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -116.87 120.38 38.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 71.43 110.8 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.467 ' O ' HG22 ' A' ' 144' ' ' THR . . . 60.13 23.69 59.94 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.806 -0.711 . . . . 74.24 112.606 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.715 HG13 HD23 ' A' ' 19' ' ' LEU . 61.5 t -58.39 -58.82 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 120.734 0.302 . . . . 63.3 111.055 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 13.1 mt-10 -62.04 -26.01 68.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 53.11 110.906 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -42.62 82.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 43.53 110.949 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.759 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -68.27 -42.67 79.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.44 111.008 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -63.66 -51.4 65.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.881 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.5 m-85 -53.63 -31.49 47.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 55.32 110.97 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.956 HG21 HD11 ' A' ' 142' ' ' ILE . 51.1 m -59.81 -41.56 91.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 41.42 110.853 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.816 HD23 HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -58.65 -48.07 82.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 73.44 110.961 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.761 HG11 HD12 ' A' ' 46' ' ' ILE . 20.9 t -54.53 -44.7 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 74.34 111.129 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -35.12 76.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 72.44 110.712 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -67.2 -45.89 75.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.55 110.761 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 21.1 mt -61.65 -48.01 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.12 -0.491 . . . . 63.01 111.146 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -51.04 -30.7 16.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 73.51 111.104 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -68.4 -41.55 80.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 70.11 110.808 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.232 -0.89 . . . . 71.22 110.718 179.854 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.753 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.897 0.38 . . . . 44.22 111.14 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.66 149.9 20.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.32 110.751 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -105.13 108.66 20.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 71.5 110.868 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -97.41 131.66 43.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 62.44 110.904 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.9 99.1 8.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 63.13 110.855 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.815 HD13 HD23 ' A' ' 159' ' ' LEU . 12.1 mt -99.01 136.73 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 41.3 110.944 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 78' ' ' PHE . 3.2 m -110.26 106.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 75.23 111.151 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.92 145.13 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 54.14 111.29 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.7 164.25 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 63.22 110.971 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.57 165.59 35.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.65 -0.786 . . . . 24.42 112.594 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.38 23.46 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.692 0.282 . . . . 74.1 111.342 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.65 -85.94 1.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 71.01 112.641 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.12 58.18 5.05 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 55.53 112.733 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.581 HG11 ' HB3' ' A' ' 89' ' ' SER . 30.3 m -133.44 20.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 54.44 111.316 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.12 30.53 73.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 62.44 112.548 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -58.52 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 70.11 110.876 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 p -69.51 -28.21 65.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 54.42 110.92 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.699 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -53.27 -50.48 64.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.383 . . . . 54.33 111.241 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.04 -40.24 95.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 72.11 110.82 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.618 HG23 ' CG2' ' A' ' 55' ' ' ILE . 87.0 m -59.68 -57.28 13.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 74.22 110.927 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.07 -31.65 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 71.1 110.803 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.409 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 7.5 mm-40 -65.08 -45.79 83.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 74.11 110.888 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.775 HD13 ' O ' ' A' ' 23' ' ' LEU . 2.9 tm? -76.71 -13.75 60.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 42.31 111.377 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.2 mm -99.73 -75.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.67 0.271 . . . . 73.43 111.321 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -85.13 -27.59 26.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 64.3 111.305 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 22' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 71.12 110.809 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.79 0.329 . . . . 63.25 110.846 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.49 123.8 10.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 73.03 110.885 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.456 ' O ' HD13 ' A' ' 52' ' ' LEU . 66.5 tttt -112.83 148.89 33.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 62.44 110.805 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.5 ' HG3' HD22 ' A' ' 52' ' ' LEU . 30.5 tt0 -99.86 119.55 38.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 72.2 110.929 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -131.88 175.61 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 62.43 111.109 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -116.91 105.7 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 73.12 111.044 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.563 ' CD1' HG21 ' A' ' 160' ' ' VAL . 49.1 mt -120.24 140.4 44.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 71.51 110.963 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t0 65.41 15.86 10.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 43.44 111.173 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.05 -18.04 52.94 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.728 -0.749 . . . . 71.34 112.884 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -106.54 145.06 32.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 72.54 111.179 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.7 m -76.02 136.38 39.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 73.01 110.678 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 61.6 m -153.75 145.11 23.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 64.32 110.943 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.753 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -83.18 143.29 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 64.52 110.751 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 53' ' ' LEU . 28.4 mt -114.87 86.22 2.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 72.44 110.942 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 96.18 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.825 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.618 ' CG2' HG23 ' A' ' 20' ' ' THR . 20.2 mm -92.85 110.51 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.13 111.132 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.46 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -92.41 124.7 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 55.35 110.622 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -103.73 103.94 13.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 73.13 110.563 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.46 HG22 HD21 ' A' ' 56' ' ' LEU . 20.9 p -75.23 -178.69 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 62.12 110.877 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 41.32 111.184 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.833 0.349 . . . . 73.3 110.824 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -33.76 72.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.04 110.856 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -76.68 -29.73 56.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.885 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -67.46 -33.27 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 74.45 110.924 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -72.32 -35.52 68.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 72.21 111.212 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.551 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.6 mtt -57.23 -50.77 71.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.844 0.354 . . . . 74.53 110.702 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.429 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 58.5 mtm-85 -63.53 -21.23 66.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.075 -0.511 . . . . 72.35 110.971 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.0 p -106.37 14.26 27.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 70.23 111.337 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -115.39 118.62 4.34 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.496 -0.859 . . . . 71.54 112.701 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.55 -25.21 63.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.729 0.299 . . . . 75.54 110.905 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.494 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -143.13 153.69 24.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 73.12 112.37 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.43 ' CE2' HG21 ' A' ' 7' ' ' VAL . 2.7 m-85 -123.98 125.43 44.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 74.22 111.076 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.691 HD12 HD22 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -112.19 130.29 55.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 53.42 110.999 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.782 ' HB3' HD12 ' A' ' 93' ' ' ILE . 57.7 m -107.17 117.0 32.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 63.52 110.709 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -103.28 113.72 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 71.01 111.317 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.22 147.76 48.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 63.33 110.591 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.509 ' HB1' ' HG3' ' A' ' 117' ' ' LYS . . . -98.26 123.85 42.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 64.15 111.174 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.785 HD12 ' CB ' ' A' ' 123' ' ' ARG . 3.2 pt -60.2 -26.83 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.072 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -74.63 -30.65 61.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 65.25 110.945 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -98.87 104.85 16.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.382 -0.372 . . . . 73.03 111.068 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.6 m -65.23 -23.37 67.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.41 110.924 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -69.62 -48.45 59.95 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.336 -0.393 . . . . 74.42 110.594 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.581 ' HB3' HG11 ' A' ' 14' ' ' VAL . 1.9 m -59.61 -30.79 68.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 62.33 110.782 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -59.6 -41.7 90.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 73.14 110.75 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.69 -29.18 61.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 72.23 110.995 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 0.6 OUTLIER -61.9 -31.33 71.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 73.22 110.821 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.782 HD12 ' HB3' ' A' ' 80' ' ' CYS . 32.1 mm -61.73 -30.81 49.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 74.44 110.737 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -69.58 -55.4 10.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 74.14 110.671 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -66.47 -30.03 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 63.44 111.007 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.7 m-85 -62.48 -40.32 96.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 72.45 110.924 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.444 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 11.7 ttt85 -66.11 -30.72 71.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.76 -36.35 83.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 62.21 110.944 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -63.43 -39.28 94.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 51.43 110.857 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.587 HD12 ' HE1' ' A' ' 111' ' ' MET . 60.1 mt -63.94 -48.65 85.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 65.55 111.014 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -54.58 -36.02 63.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.156 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -62.94 -59.02 5.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 62.04 111.138 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.551 HG11 ' HB2' ' A' ' 72' ' ' MET . 95.9 t -64.12 -52.61 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 62.41 110.824 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.43 ' HD2' ' CE1' ' A' ' 78' ' ' PHE . 4.4 mtpm? -62.94 -26.77 68.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 73.31 110.919 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.3 t0 62.61 46.18 5.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 74.15 110.868 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.47 161.47 6.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.811 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.17 -56.37 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 65.33 110.871 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -72.55 85.04 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.912 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.51 152.93 58.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 72.12 111.083 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HB3' ' HA ' ' A' ' 163' ' ' ILE . 42.2 Cg_endo -67.58 113.85 3.09 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.554 2.17 . . . . 72.13 112.459 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.619 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.2 ptp -165.22 164.59 20.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 62.01 110.979 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.529 HG13 ' HG2' ' A' ' 140' ' ' PRO . 21.4 t -144.53 152.76 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.14 111.284 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.65 HD23 ' HB2' ' A' ' 134' ' ' ALA . 5.6 tp -114.83 112.16 22.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 61.31 110.831 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.714 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 21.9 t -102.68 146.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 75.12 111.145 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.45 87.72 0.47 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.794 -0.717 . . . . 65.15 112.57 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.509 HD21 ' HB2' ' A' ' 146' ' ' ALA . 12.5 t-20 -67.35 174.47 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.756 0.312 . . . . 71.13 110.828 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.879 ' HB3' HD12 ' A' ' 120' ' ' LEU . 11.4 mmtm 62.94 45.1 5.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 71.51 110.889 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 12.3 t -81.94 -22.49 36.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 64.34 111.241 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -90.94 -19.01 23.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.444 -0.344 . . . . 74.31 111.466 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.879 HD12 ' HB3' ' A' ' 117' ' ' LYS . 5.7 mt -48.03 142.49 5.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.772 0.32 . . . . 74.51 111.09 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -92.7 19.29 7.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 65.42 111.563 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.31 69.83 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.818 0.342 . . . . 64.43 110.968 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.785 ' CB ' HD12 ' A' ' 84' ' ' ILE . 6.5 ptp85 -89.0 132.75 34.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 74.14 110.926 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.9 p -103.95 -46.76 4.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 65.42 110.733 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.2 t -94.53 103.95 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 73.35 110.904 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -59.43 161.5 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 71.42 110.954 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.3 p -61.87 -40.65 96.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 62.35 111.043 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -55.8 -43.71 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.982 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -66.22 -35.93 81.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -35.92 67.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 71.33 111.152 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -35.5 76.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 72.32 110.866 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.46 -44.44 89.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.843 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.553 HD22 ' O ' ' A' ' 133' ' ' LEU . 1.1 tm? -68.26 -51.76 41.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.258 -0.428 . . . . 74.51 111.047 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.65 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -62.38 -32.39 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 75.24 110.993 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -65.12 -26.19 68.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 73.12 111.1 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.1 m -74.62 -28.82 61.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.954 0.407 . . . . 70.51 110.726 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.482 ' HE2' HD11 ' A' ' 133' ' ' LEU . 23.1 m-85 -83.2 -21.56 33.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.969 -0.56 . . . . 71.14 111.097 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.44 16.29 64.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.715 -0.755 . . . . 64.23 112.631 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.619 HG21 ' HG3' ' A' ' 111' ' ' MET . 29.4 pt -107.91 153.79 41.44 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.723 0.297 . . . . 74.05 111.361 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.529 ' HG2' HG13 ' A' ' 112' ' ' VAL . 56.1 Cg_endo -69.96 150.21 66.67 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.581 2.187 . . . . 71.34 112.281 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -124.9 118.53 26.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 72.4 110.804 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.951 HD11 HG21 ' A' ' 158' ' ' THR . 4.8 mp -117.05 145.06 23.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 72.23 110.952 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -110.89 131.23 55.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 62.44 110.819 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 150' ' ' GLN . 19.1 p -146.21 177.81 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.407 . . . . 75.05 111.275 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.93 127.31 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 72.23 110.818 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.699 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.82 -18.44 62.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 71.12 111.493 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -90.63 -51.61 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.555 -0.293 . . . . 72.44 111.295 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 149' ' ' ARG . 25.3 p -93.63 13.43 22.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.556 -0.293 . . . . 50.14 111.637 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 148' ' ' THR . 0.6 OUTLIER 28.25 63.56 0.11 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.129 0.418 . . . . 72.51 112.129 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 144' ' ' THR . 6.5 tt0 -110.47 108.1 17.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 71.21 111.16 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 75.9 12.91 83.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 64.41 112.989 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 59.0 t -57.18 -54.16 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-O 120.794 0.331 . . . . 74.15 111.062 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.446 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 4.4 mt-10 -59.99 -27.4 66.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 52.33 110.659 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -55.94 26.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 54.0 110.707 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.714 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -51.8 -47.53 64.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 74.13 111.345 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.21 -51.13 70.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 75.51 110.912 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.5 m-85 -58.32 -34.27 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 71.42 111.058 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.951 HG21 HD11 ' A' ' 142' ' ' ILE . 4.7 m -57.13 -44.53 83.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.35 -0.386 . . . . 54.0 110.855 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.815 HD23 HD13 ' A' ' 6' ' ' LEU . 55.7 tp -59.85 -44.68 93.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 71.1 110.738 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' A' ' 46' ' ' ILE . 24.1 t -53.85 -37.77 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.071 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -76.39 -34.44 58.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.731 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.38 -43.58 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.02 110.873 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.404 ' HA ' ' HB3' ' A' ' 110' ' ' PRO . 67.7 mt -59.54 -51.15 76.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.254 -0.43 . . . . 64.15 111.24 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -57.63 -33.47 68.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 71.42 110.95 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -30.98 69.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 53.3 110.886 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 61.9 t60 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.228 -0.892 . . . . 65.44 110.818 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.463 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 121.055 0.455 . . . . 54.24 111.371 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.06 146.72 37.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.829 -0.623 . . . . 74.12 110.813 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.47 132.45 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 63.13 110.802 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -122.19 112.45 18.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.937 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 100.72 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 70.34 110.724 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.698 HD13 ' CD1' ' A' ' 55' ' ' ILE . 0.8 OUTLIER -94.23 126.63 39.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.11 111.091 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.404 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 94.4 t -112.48 103.46 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.024 -0.535 . . . . 71.43 110.951 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.7 t -77.31 140.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 72.32 111.057 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.6 m -143.89 -177.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.14 111.159 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.9 -174.89 15.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.722 . . . . 71.22 112.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.14 160.78 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 73.34 111.08 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.97 -83.67 0.02 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.838 -0.696 . . . . 74.13 112.587 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.41 -102.99 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.648 -0.787 . . . . 51.24 112.096 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.419 HG11 ' HB3' ' A' ' 89' ' ' SER . 35.1 m 42.22 30.83 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.803 0.335 . . . . 72.1 111.865 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 53.76 38.78 60.07 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.839 -0.696 . . . . 73.35 112.649 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -74.59 -58.4 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 73.24 110.998 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -37.07 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 55.13 110.861 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.91 -34.42 73.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 61.24 111.043 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.748 HD23 HG13 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -61.06 -38.66 86.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 62.35 110.841 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.535 HG23 HG21 ' A' ' 55' ' ' ILE . 83.8 m -68.21 -35.69 78.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.897 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.2 mm -62.08 -43.83 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 72.31 111.179 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.698 ' HB2' HG11 ' A' ' 152' ' ' VAL . 51.0 mm-40 -59.34 -45.84 90.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 75.24 111.029 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 23' ' ' LEU . 3.1 tm? -71.62 -45.85 60.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 75.22 111.026 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.6 mm -66.91 -76.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 53.21 111.249 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.1 mt-30 -89.6 -97.2 0.1 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.561 -0.291 . . . . 74.41 111.055 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 3.4 m-20 . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.827 0.346 . . . . 63.24 110.846 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.881 0.372 . . . . 71.51 110.754 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.55 155.38 41.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.828 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -155.07 147.34 23.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.944 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -100.3 122.63 43.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 71.3 110.809 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.4 m -134.97 -178.06 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 63.3 111.197 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -118.05 100.84 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 75.23 111.117 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.669 HG13 HG11 ' A' ' 160' ' ' VAL . 12.9 mm -83.55 105.77 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.983 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.2 t0 59.44 37.77 22.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 70.11 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.55 -6.35 82.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 31.25 112.841 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.78 114.28 27.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 73.41 110.983 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.5 m -70.66 121.47 17.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 74.4 110.983 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.5 m -148.7 149.85 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 70.11 110.891 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.463 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -78.83 141.96 37.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 64.04 110.945 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.6 mt -121.98 93.36 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 61.5 110.805 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.12 95.7 10.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 70.13 110.892 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.698 ' CD1' HD13 ' A' ' 6' ' ' LEU . 13.0 mm -85.44 111.02 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 73.31 111.024 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.592 HD21 ' CG2' ' A' ' 58' ' ' THR . 2.1 tt -101.89 119.52 38.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.242 -0.436 . . . . 64.41 110.714 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -117.54 98.31 6.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 44.32 110.754 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.592 ' CG2' HD21 ' A' ' 56' ' ' LEU . 17.7 p -78.98 -173.74 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 62.55 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 73.0 111.217 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.408 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 15.2 ptp . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.821 0.343 . . . . 54.4 110.97 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -25.41 44.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 62.32 111.121 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.18 -24.95 34.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 73.22 111.238 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 74' ' ' THR . 5.0 pt20 -80.77 -39.81 26.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 61.42 110.999 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 14.5 m-85 -74.17 -53.17 10.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 75.34 110.981 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.1 mtt -54.94 -46.76 75.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 65.5 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 58.9 mtp180 -62.91 -24.44 67.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 70.41 111.067 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 70' ' ' GLN . 73.8 p -100.55 -9.9 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 74.44 111.418 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.404 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -81.96 132.1 10.9 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.624 -0.798 . . . . 73.2 112.857 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.04 -21.7 58.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 63.34 110.859 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.58 -171.7 23.07 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.889 -0.672 . . . . 62.13 112.418 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.583 ' CE2' HG23 ' A' ' 100' ' ' ILE . 93.6 m-85 -150.26 135.15 17.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 72.5 110.904 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.854 HD12 HD23 ' A' ' 159' ' ' LEU . 0.4 OUTLIER -116.75 115.79 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 74.34 111.039 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.79 ' HB3' HD12 ' A' ' 93' ' ' ILE . 75.3 m -93.68 119.07 32.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.761 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.702 HG22 ' CG2' ' A' ' 114' ' ' VAL . 49.1 t -113.06 130.02 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.462 . . . . 74.24 111.145 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.587 ' HD1' HD11 ' A' ' 113' ' ' LEU . 7.8 p90 -139.18 151.78 46.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 54.42 111.014 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.96 124.06 40.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.33 111.103 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.841 HD12 ' CB ' ' A' ' 123' ' ' ARG . 10.3 pt -59.9 -32.18 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 71.13 111.092 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' HG13 ' A' ' 84' ' ' ILE . 0.9 OUTLIER -67.11 -19.15 65.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.51 . . . . 74.32 111.15 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -119.61 103.31 9.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.365 -0.38 . . . . 65.02 110.866 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.52 HG23 HG22 ' A' ' 125' ' ' VAL . 2.9 m -64.15 -22.87 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 65.51 111.096 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -64.78 -43.13 94.25 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.859 0.361 . . . . 72.41 110.655 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.419 ' HB3' HG11 ' A' ' 14' ' ' VAL . 15.2 m -60.74 -39.3 88.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.74 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 130' ' ' ALA . 26.2 t80 -59.18 -25.25 63.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 72.32 110.996 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.37 -34.71 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 60.23 111.04 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.72 -34.89 78.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.992 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.79 HD12 ' HB3' ' A' ' 80' ' ' CYS . 27.3 mm -59.6 -27.71 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.406 . . . . 73.21 111.007 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -74.21 -55.33 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.806 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -67.39 -29.05 68.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 65.3 111.063 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.84 -43.42 94.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 73.14 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -58.15 -40.78 82.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 72.43 110.863 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.92 -28.22 49.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.44 111.116 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -76.15 -42.13 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 74.53 110.892 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.583 HG23 ' CE2' ' A' ' 78' ' ' PHE . 49.3 mt -64.78 -46.31 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 75.12 110.941 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -57.48 -28.89 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 54.45 110.924 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -70.75 -58.59 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 71.43 110.806 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.425 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 39.0 t -57.08 -56.65 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 62.32 111.052 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -63.1 -20.58 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 73.4 111.029 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 61.58 46.53 7.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 60.11 110.886 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.18 154.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.12 111.013 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -81.06 -41.01 23.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.673 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -70.08 94.95 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 72.31 110.711 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.517 HG13 ' HD2' ' A' ' 110' ' ' PRO . 61.2 t -131.61 136.14 28.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 74.11 110.769 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.517 ' HD2' HG13 ' A' ' 109' ' ' VAL . 58.6 Cg_endo -73.01 100.91 1.26 Allowed 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.809 2.339 . . . . 73.42 112.344 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.579 ' HG3' HG21 ' A' ' 139' ' ' ILE . 10.6 ptp -144.91 170.36 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 71.44 110.837 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.914 HG23 HD22 ' A' ' 159' ' ' LEU . 42.9 t -143.87 146.76 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 73.42 111.127 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.587 HD11 ' HD1' ' A' ' 82' ' ' PHE . 9.4 tp -113.79 131.41 56.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 72.35 110.719 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.702 ' CG2' HG22 ' A' ' 81' ' ' VAL . 5.2 m -123.99 158.9 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 62.15 111.497 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.23 75.82 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.897 -0.668 . . . . 75.32 112.257 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -48.97 159.0 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 65.13 111.24 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.606 ' HG2' HD12 ' A' ' 120' ' ' LEU . 0.6 OUTLIER 64.36 61.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 75.33 110.882 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 15.1 t -104.05 20.76 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.513 . . . . 64.41 111.026 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -116.78 -38.72 3.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 75.55 110.921 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.606 HD12 ' HG2' ' A' ' 117' ' ' LYS . 40.8 mt -54.15 151.57 6.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 71.3 110.956 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.08 36.96 1.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 64.4 111.249 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.63 74.52 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 52.12 111.06 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.841 ' CB ' HD12 ' A' ' 84' ' ' ILE . 6.9 ptp85 -99.53 135.08 41.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 75.44 110.905 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.8 p -105.37 -27.89 11.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 63.45 110.791 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.52 HG22 HG23 ' A' ' 87' ' ' THR . 86.7 t -111.13 96.33 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.075 -0.511 . . . . 61.31 110.759 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -56.07 164.4 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 72.35 111.044 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 m -60.98 -39.41 89.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 71.51 110.959 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -58.58 -50.04 75.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 70.22 110.926 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.05 -41.77 88.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 73.11 111.0 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . . . -72.31 -42.8 65.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 73.13 111.059 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -31.82 73.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.826 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.19 -35.94 76.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 71.43 110.686 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.674 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 52.9 tp -78.68 -50.72 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.12 110.745 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.2 -35.74 72.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 44.44 110.936 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -69.24 -26.87 65.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 75.03 110.83 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -37.34 62.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 74.34 110.522 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.674 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 23.1 m-85 -77.79 -15.08 59.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.914 -0.585 . . . . 73.02 111.104 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.76 20.35 68.54 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.685 -0.769 . . . . 74.52 112.427 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.579 HG21 ' HG3' ' A' ' 111' ' ' MET . 7.8 pt -110.17 156.81 39.51 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.828 0.346 . . . . 74.11 111.645 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.445 ' HG2' HG13 ' A' ' 112' ' ' VAL . 58.2 Cg_endo -72.85 152.01 51.79 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.614 2.209 . . . . 74.41 112.318 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -122.44 117.29 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.745 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.956 HD11 HG21 ' A' ' 158' ' ' THR . 2.2 mp -118.52 151.04 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 60.54 111.023 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -112.01 117.88 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.397 . . . . 74.22 111.101 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 151' ' ' GLY . 75.2 p -128.34 163.85 23.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.31 111.104 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 81.9 p -136.1 117.81 15.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 65.01 110.846 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.03 -13.94 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 53.25 111.586 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -96.97 -66.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 75.01 111.204 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -70.51 -21.66 62.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 64.22 111.405 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 63.48 73.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.905 0.383 . . . . 75.21 110.755 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -125.86 115.24 19.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 71.23 110.837 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.529 ' O ' HG22 ' A' ' 144' ' ' THR . . . 65.12 14.82 59.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.677 -0.773 . . . . 70.52 112.843 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.748 HG13 HD23 ' A' ' 19' ' ' LEU . 36.0 t -50.36 -55.2 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 71.15 111.203 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.449 ' HA ' HD23 ' A' ' 23' ' ' LEU . 2.9 mt-10 -63.53 -27.44 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.804 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -51.46 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.889 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.638 ' HB1' HG11 ' A' ' 114' ' ' VAL . . . -59.78 -48.74 80.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 70.15 111.125 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.518 ' HE1' HD22 ' A' ' 19' ' ' LEU . 7.8 m-85 -57.55 -51.03 71.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.864 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.8 m-85 -55.97 -36.06 67.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.897 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.956 HG21 HD11 ' A' ' 142' ' ' ILE . 7.8 m -58.15 -38.29 76.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 55.34 110.844 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.914 HD22 HG23 ' A' ' 112' ' ' VAL . 0.2 OUTLIER -60.55 -37.49 81.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 74.43 110.828 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.669 HG11 HG13 ' A' ' 46' ' ' ILE . 7.6 t -64.6 -40.66 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 72.32 111.064 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -37.68 75.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 51.14 110.969 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.95 -51.56 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.964 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.43 -44.89 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.371 -0.377 . . . . 70.24 111.338 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -53.78 -40.85 66.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 75.31 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -29.82 64.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 71.4 110.955 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.123 -0.942 . . . . 72.52 110.998 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.847 0.356 . . . . 71.31 111.145 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.03 145.48 45.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.853 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -98.65 110.41 23.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.907 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -98.94 114.44 27.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.878 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 99.65 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.765 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.866 HD22 HD12 ' A' ' 159' ' ' LEU . 24.1 mt -93.02 128.08 38.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 74.55 110.993 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.417 ' HB ' ' CD2' ' A' ' 78' ' ' PHE . 70.4 t -97.38 102.16 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.02 111.121 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 t -84.55 142.11 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 65.23 111.078 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.8 m -145.68 163.98 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 63.15 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.47 163.86 11.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.763 . . . . 64.43 112.522 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.8 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -63.26 161.35 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 73.34 111.16 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.28 -18.61 60.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 35.4 112.807 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.92 41.79 2.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 75.54 112.603 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 11' ' ' ALA . 33.9 m -111.11 -28.34 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.764 0.316 . . . . 53.34 111.302 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.0 26.29 22.32 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.693 -0.765 . . . . 72.0 112.427 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' H ' HG23 ' A' ' 14' ' ' VAL . 11.9 pttt -58.6 -47.87 82.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 75.31 111.003 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 p -66.94 -32.14 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 45.13 110.89 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.31 86.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 72.23 111.108 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.532 HD11 ' CG ' ' A' ' 116' ' ' ASN . 2.6 mt -66.6 -32.55 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 74.31 110.979 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.732 HG23 HG21 ' A' ' 55' ' ' ILE . 89.2 m -61.2 -56.35 21.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 75.43 110.978 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.17 -31.96 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.283 -0.417 . . . . 64.01 110.755 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -60.23 -46.92 88.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 71.13 110.655 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.727 HD13 ' O ' ' A' ' 23' ' ' LEU . 3.0 tm? -76.93 -19.67 57.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 61.24 111.191 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mm -90.49 -77.32 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.481 -0.327 . . . . 73.41 111.443 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -87.27 -28.6 22.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.508 -0.314 . . . . 63.24 111.304 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 50.32 111.202 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.753 0.311 . . . . 61.3 110.67 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.5 126.9 52.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 72.03 110.82 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -116.02 149.75 38.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 73.55 110.996 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.89 120.68 31.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 73.15 110.727 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.3 175.79 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 63.14 111.196 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.402 HG12 ' CA ' ' A' ' 48' ' ' GLY . 21.9 t -120.86 100.83 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 75.21 111.094 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.7 HG13 HG11 ' A' ' 160' ' ' VAL . 19.0 mm -81.91 102.41 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 74.22 111.106 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.3 t0 59.44 35.93 23.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 61.43 110.851 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.402 ' CA ' HG12 ' A' ' 45' ' ' VAL . . . 90.89 -4.1 81.44 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.692 -0.766 . . . . 55.14 112.838 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -103.34 107.37 18.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.776 0.322 . . . . 43.4 110.909 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.0 m -60.77 120.38 10.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 75.04 110.857 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 91.5 m -149.31 147.93 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.03 111.021 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -83.46 151.7 25.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 52.43 110.698 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.6 mt -122.22 79.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 71.54 111.0 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.7 94.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 62.14 110.729 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.732 HG21 HG23 ' A' ' 20' ' ' THR . 11.6 mm -80.58 108.66 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.267 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.557 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.4 tm? -89.78 100.99 13.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 70.31 110.738 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.17 105.76 15.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 74.43 111.009 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.9 p -81.03 -173.79 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 64.34 110.809 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 74.24 111.072 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.2 null . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.874 0.369 . . . . 74.54 110.823 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 -62.64 -30.25 71.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.869 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -31.2 44.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.983 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 74' ' ' THR . 2.0 pt20 -65.4 -33.16 75.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 54.12 110.772 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -69.08 -44.56 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 71.53 110.782 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.567 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.7 mtt -57.73 -50.31 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 53.33 110.653 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.4 mtp85 -63.96 -21.58 66.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 54.25 111.052 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 70' ' ' GLN . 77.9 p -104.59 2.55 30.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.43 . . . . 73.52 111.446 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.22 139.5 14.83 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.562 -0.828 . . . . 74.31 112.797 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.03 -18.66 31.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.708 0.289 . . . . 73.13 111.083 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.411 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -153.17 168.14 31.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 72.12 112.374 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.528 ' O ' HD21 ' A' ' 159' ' ' LEU . 57.9 m-85 -133.69 139.07 46.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.371 . . . . 73.11 110.949 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.727 HD12 HD23 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -122.55 129.36 51.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 73.55 110.828 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.86 ' HB3' HD12 ' A' ' 93' ' ' ILE . 6.6 m -106.77 107.4 18.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 74.55 110.906 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.493 HG11 HD12 ' A' ' 19' ' ' LEU . 67.3 t -99.15 107.32 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 52.3 111.083 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.439 ' HB3' HD11 ' A' ' 93' ' ' ILE . 0.2 OUTLIER -116.13 149.83 38.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.622 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.47 123.66 39.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 73.21 111.059 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.758 HD12 ' CB ' ' A' ' 123' ' ' ARG . 2.5 pt -65.23 -23.87 34.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 71.53 111.179 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.49 ' O ' HG23 ' A' ' 124' ' ' THR . 1.0 OUTLIER -75.92 -13.55 60.26 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.257 -0.429 . . . . 73.13 111.252 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -124.82 122.11 36.48 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.831 0.348 . . . . 53.23 110.93 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -70.74 -30.09 66.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 64.32 110.905 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -59.52 -45.1 92.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 73.44 110.959 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.506 ' HB3' HG12 ' A' ' 14' ' ' VAL . 16.9 m -57.53 -38.85 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 62.42 110.911 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 16.4 t80 -63.04 -29.5 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 51.23 110.817 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.34 -26.95 46.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 72.23 111.091 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.03 -34.42 71.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 71.01 110.965 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.86 HD12 ' HB3' ' A' ' 80' ' ' CYS . 24.8 mm -58.74 -28.08 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 72.42 110.918 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -73.37 -55.33 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 74.44 110.758 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -68.55 -29.07 67.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.43 111.127 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -63.88 -47.81 79.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 65.44 110.975 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.421 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 1.8 ttp180 -62.22 -30.42 71.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 64.43 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.85 -31.38 72.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.395 . . . . 53.33 110.936 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -68.76 -34.77 76.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 74.5 111.071 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.9 mt -71.56 -41.57 72.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.2 111.117 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.538 ' HZ1' HG22 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -55.64 -32.94 63.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 74.51 110.966 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -71.58 -56.83 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 73.42 110.746 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.567 HG11 ' HB2' ' A' ' 72' ' ' MET . 25.6 t -59.34 -59.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 71.43 111.088 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -61.86 -26.5 68.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.42 110.896 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.7 t0 62.82 44.99 5.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.97 0.414 . . . . 64.34 110.707 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.46 140.78 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 71.53 110.804 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -74.12 -41.97 60.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 74.33 111.106 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -80.55 88.43 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 53.53 111.003 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.538 HG22 ' HZ1' ' A' ' 101' ' ' LYS . 21.5 m -126.68 152.91 75.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 72.13 111.18 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.98 108.24 2.27 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.562 2.175 . . . . 63.25 112.379 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.683 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.2 ptp -159.1 166.35 31.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 72.35 110.944 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.777 HG23 HD22 ' A' ' 159' ' ' LEU . 24.2 t -144.22 150.96 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.0 111.282 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.783 HD22 HG21 ' A' ' 93' ' ' ILE . 6.3 tp -115.48 114.41 24.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 70.21 110.65 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.737 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 22.0 t -105.91 146.64 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 73.23 111.269 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.5 82.89 0.31 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.917 -0.659 . . . . 53.12 112.294 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.532 ' CG ' HD11 ' A' ' 19' ' ' LEU . 20.3 t-20 -57.51 171.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 73.41 111.095 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.438 ' O ' HD11 ' A' ' 84' ' ' ILE . 10.4 mtmm 62.63 58.59 1.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 75.25 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.1 t -96.46 -21.78 17.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 73.45 110.943 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.02 -23.93 28.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.262 -0.426 . . . . 74.41 111.185 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.4 mt -50.06 163.76 0.14 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.444 -0.344 . . . . 74.12 111.113 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.78 24.51 11.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 53.14 111.362 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.64 72.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 71.41 111.221 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.758 ' CB ' HD12 ' A' ' 84' ' ' ILE . 10.6 ptm180 -93.53 134.07 36.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 72.11 110.852 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 85' ' ' ASN . 15.6 p -97.76 -50.61 4.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 70.13 110.684 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.0 t -92.62 102.85 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.578 . . . . 64.42 110.858 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.58 161.39 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 64.31 111.011 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.7 p -59.14 -37.43 77.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.513 . . . . 44.31 111.09 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -57.2 -48.27 79.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.939 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -59.39 -42.84 92.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.039 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.42 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -67.46 -37.15 82.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 70.25 111.215 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -33.62 76.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 73.43 111.015 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.55 -45.85 88.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 65.52 111.007 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.679 HD21 ' CZ ' ' A' ' 137' ' ' TYR . 1.1 tm? -68.63 -51.78 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.24 111.081 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.542 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -58.61 -44.07 89.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 73.12 111.145 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -58.78 -25.94 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 63.5 111.089 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.9 t -75.19 -30.28 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 71.31 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.679 ' CZ ' HD21 ' A' ' 133' ' ' LEU . 21.7 m-85 -83.32 -22.25 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 74.22 111.054 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.1 15.33 62.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.692 -0.765 . . . . 73.12 112.622 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.683 HG21 ' HG3' ' A' ' 111' ' ' MET . 21.1 pt -107.76 152.84 41.71 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.764 0.316 . . . . 74.52 111.288 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HG2' HG13 ' A' ' 112' ' ' VAL . 43.7 Cg_endo -68.22 152.88 75.65 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.556 2.171 . . . . 73.44 112.324 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -127.09 118.61 24.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 71.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.77 HD11 HG21 ' A' ' 158' ' ' THR . 4.9 mp -118.5 150.02 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 71.11 110.991 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -113.71 130.64 56.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 71.15 110.789 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 151' ' ' GLY . 34.7 p -142.3 175.06 10.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.91 0.386 . . . . 74.34 111.313 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.81 119.73 13.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 74.44 110.817 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.82 -18.92 65.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 43.5 111.488 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -83.73 -57.7 3.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.51 -0.314 . . . . 74.51 111.313 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 56.8 p -92.77 6.98 45.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 72.31 111.413 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.406 ' HA ' ' CG2' ' A' ' 152' ' ' VAL . 6.0 ptm180 42.67 45.93 4.2 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.865 0.364 . . . . 75.4 111.396 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -83.13 122.47 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 73.51 111.135 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.503 ' O ' HG22 ' A' ' 144' ' ' THR . . . 52.44 23.22 12.74 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.886 -0.673 . . . . 62.04 113.045 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 149' ' ' ARG . 3.8 t -59.59 -50.29 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-O 120.894 0.378 . . . . 53.42 110.831 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.401 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 4.1 mp0 -61.29 -31.91 71.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 71.33 110.851 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -56.22 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 71.2 110.995 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.737 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -55.25 -43.47 74.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 63.42 111.23 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.8 -52.58 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 64.13 110.862 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 153' ' ' GLU . 15.6 m-85 -53.33 -32.51 49.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 74.11 111.109 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.77 HG21 HD11 ' A' ' 142' ' ' ILE . 7.4 m -58.64 -32.01 68.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 71.55 110.887 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.866 HD12 HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -69.35 -34.16 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 65.44 110.9 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.7 HG11 HG13 ' A' ' 46' ' ' ILE . 5.3 t -67.03 -50.36 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 72.35 111.182 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.84 -38.17 78.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 71.12 110.927 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.01 -53.03 62.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 62.32 110.888 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.435 HD11 HD12 ' A' ' 159' ' ' LEU . 75.0 mt -60.01 -37.27 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.189 -0.46 . . . . 71.24 111.387 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -44.76 70.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 74.22 111.078 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -61.95 -38.75 89.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 63.33 110.885 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.227 -0.892 . . . . 74.05 110.915 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.527 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.771 0.319 . . . . 71.54 111.169 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.52 149.86 49.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 62.14 110.729 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -107.63 123.66 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 63.43 110.878 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -111.12 106.36 15.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 75.03 111.044 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -89.36 93.04 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 60.53 110.846 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.563 HD22 HD12 ' A' ' 159' ' ' LEU . 12.8 mt -84.39 122.26 28.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 73.23 111.112 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.544 HG23 ' HA3' ' A' ' 75' ' ' GLY . 99.5 t -98.12 102.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 53.33 110.88 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -79.73 139.28 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 63.33 111.043 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -137.58 152.13 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 64.22 111.033 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.412 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 158.57 161.83 11.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 41.23 112.529 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.817 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -61.18 159.71 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 71.45 111.04 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.52 -20.41 55.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.695 -0.764 . . . . 41.55 112.755 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.79 46.63 1.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.673 -0.775 . . . . 74.23 112.783 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 11' ' ' ALA . 34.9 m -118.46 -6.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.575 0.226 . . . . 54.42 111.608 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.06 40.67 97.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.627 -0.797 . . . . 35.31 112.41 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HA ' HD21 ' A' ' 19' ' ' LEU . 3.5 ptpt -71.04 -34.43 71.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.765 0.317 . . . . 74.21 110.861 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -32.33 64.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 44.25 111.007 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.585 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -62.87 -58.11 8.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 63.15 111.207 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD21 HG11 ' A' ' 81' ' ' VAL . 3.1 pp -56.31 -32.45 64.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.481 . . . . 74.21 111.073 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.875 HG23 HG21 ' A' ' 55' ' ' ILE . 93.0 m -70.35 -51.89 26.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 73.03 110.774 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.2 mm -58.01 -39.65 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 75.11 111.075 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.453 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 3.8 mm-40 -59.98 -41.47 92.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.389 . . . . 74.45 110.972 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 23' ' ' LEU . 2.7 tm? -76.65 -11.07 59.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 73.44 111.28 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -103.09 -75.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.76 0.314 . . . . 73.05 111.319 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -90.83 -19.12 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.373 . . . . 62.34 111.644 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 22' ' ' GLN . 10.5 m120 . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.858 0.361 . . . . 74.0 111.026 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.747 0.308 . . . . 75.13 110.669 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.527 ' HB2' HD12 ' A' ' 52' ' ' LEU . 13.9 ptt85 -123.85 133.27 53.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 72.44 111.008 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -129.6 147.38 51.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 73.5 110.849 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -93.7 120.41 33.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.881 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 53' ' ' LEU . 27.0 m -129.6 178.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 74.15 111.187 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.5 t -121.93 100.86 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 62.03 111.055 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.549 ' CD1' HG21 ' A' ' 160' ' ' VAL . 40.5 mt -123.47 137.75 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.07 29.96 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 44.4 110.848 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.33 28.19 66.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 33.3 112.487 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -143.66 114.09 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 63.44 110.861 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 79.9 m -56.89 129.61 42.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 63.53 110.843 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.3 m -151.6 146.79 26.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 61.43 111.03 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.527 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -82.26 142.33 32.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 75.22 110.506 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.443 HD11 HG21 ' A' ' 44' ' ' VAL . 20.2 mt -110.19 77.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.385 . . . . 42.32 111.172 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.09 102.04 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.2 110.657 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.875 HG21 HG23 ' A' ' 20' ' ' THR . 16.6 mm -91.35 108.47 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 64.04 111.259 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.571 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.4 tm? -96.07 101.36 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 75.11 110.581 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.12 107.03 17.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 75.32 110.905 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 p -76.88 -173.81 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 62.22 110.795 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.32 111.099 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.403 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 2.8 ptp . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.778 0.323 . . . . 73.41 110.83 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -25.82 65.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 64.44 111.11 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -82.24 -35.44 28.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 62.51 111.102 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 74' ' ' THR . 0.0 OUTLIER -66.63 -27.26 67.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.417 -0.356 . . . . 72.44 111.001 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -69.95 -44.76 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 74.02 110.875 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.563 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.1 mtt -60.7 -54.9 39.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.087 -0.506 . . . . 72.33 110.671 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 57.4 mtm180 -56.03 -22.39 27.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 72.42 111.279 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 70' ' ' GLN . 75.6 p -101.7 -4.42 26.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.366 . . . . 63.13 111.462 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.544 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -99.1 127.3 9.21 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.591 -0.814 . . . . 75.02 112.749 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.443 ' HB2' HD13 ' A' ' 163' ' ' ILE . 1.9 mm-40 -68.63 -26.47 65.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 55.32 110.856 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.642 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -148.8 -165.16 11.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.856 -0.688 . . . . 64.21 112.444 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.559 ' CE2' HG23 ' A' ' 100' ' ' ILE . 91.1 m-85 -151.6 141.32 21.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 74.01 111.017 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.836 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -122.95 118.77 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.03 110.766 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.874 ' HB3' HD12 ' A' ' 93' ' ' ILE . 64.6 m -92.68 110.86 22.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 73.1 111.054 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.49 HG11 HD21 ' A' ' 19' ' ' LEU . 47.6 t -100.31 106.65 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 72.41 110.929 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.536 ' HD1' HD11 ' A' ' 113' ' ' LEU . 0.5 OUTLIER -121.95 141.18 51.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 75.32 110.883 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.19 123.75 31.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.981 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.834 HD12 ' HB3' ' A' ' 123' ' ' ARG . 1.9 pt -66.03 -16.74 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 72.21 111.491 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.86 -34.47 26.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.812 0.339 . . . . 63.3 110.874 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -105.83 108.22 19.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 73.41 110.897 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.731 HG23 HG22 ' A' ' 125' ' ' VAL . 0.8 OUTLIER -58.18 -26.98 63.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.94 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -55.92 22.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.615 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.523 ' HB3' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -49.13 -39.52 28.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.84 -0.618 . . . . 75.31 110.879 179.775 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 17.0 t80 -61.62 -29.29 69.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 70.03 110.552 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.79 -28.7 55.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 73.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.46 -31.49 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 61.23 110.869 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 80' ' ' CYS . 25.2 mm -60.44 -27.72 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 72.01 110.922 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -73.46 -55.34 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 41.13 110.772 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -65.91 -28.67 69.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 65.2 111.252 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.412 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.8 m-85 -58.65 -37.96 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 72.25 111.119 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.431 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -65.9 -35.61 81.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 71.34 110.775 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.89 -28.72 67.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 70.41 110.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.441 ' HB3' ' HE1' ' A' ' 72' ' ' MET . 0.0 OUTLIER -77.4 -41.52 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 74.41 110.919 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 78' ' ' PHE . 15.7 mt -66.11 -49.3 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 64.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -55.39 -32.38 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 54.23 111.072 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -58.86 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.816 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' A' ' 72' ' ' MET . 43.0 t -59.35 -57.94 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.416 . . . . 75.43 110.988 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -61.61 -27.02 68.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 71.32 110.884 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.7 t70 63.02 46.94 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 72.23 110.739 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.6 148.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 72.23 110.966 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -77.21 -32.92 56.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 63.13 110.82 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.01 94.8 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 64.34 110.861 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.518 HG13 ' HD2' ' A' ' 110' ' ' PRO . 61.1 t -131.93 136.21 27.92 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-N 116.106 -0.497 . . . . 74.11 110.708 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.518 ' HD2' HG13 ' A' ' 109' ' ' VAL . 62.2 Cg_endo -74.42 101.06 1.38 Allowed 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.794 2.329 . . . . 64.12 112.253 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.71 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -143.97 168.73 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.878 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.513 HG13 ' HG2' ' A' ' 140' ' ' PRO . 27.3 t -143.12 149.32 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 71.1 111.2 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.536 HD11 ' HD1' ' A' ' 82' ' ' PHE . 10.7 tp -107.48 117.47 34.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 52.53 110.666 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.688 HG22 ' HB1' ' A' ' 155' ' ' ALA . 4.6 t -97.21 161.09 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 72.11 111.295 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.462 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -122.18 75.87 0.35 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.837 -0.696 . . . . 73.21 112.338 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -56.03 158.39 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 70.24 111.121 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.3 mttt 57.34 69.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 74.22 110.979 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.6 t -103.18 -13.13 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 71.45 111.167 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -86.57 -29.27 22.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.764 0.316 . . . . 62.44 111.021 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 120' ' ' LEU . 22.9 mt -55.03 155.06 4.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 71.1 110.945 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -110.26 35.18 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 63.44 111.342 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.01 71.39 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 33.42 111.28 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.834 ' HB3' HD12 ' A' ' 84' ' ' ILE . 2.0 ptm180 -95.72 137.54 34.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 71.35 110.869 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.5 p -103.16 -27.69 12.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.731 HG22 HG23 ' A' ' 87' ' ' THR . 80.7 t -110.61 108.14 24.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.953 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.4 160.44 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.808 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 p -54.64 -31.56 57.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.152 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -60.56 -42.48 96.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.891 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.425 ' HB2' HG13 ' A' ' 125' ' ' VAL . 3.1 mt-30 -72.63 -39.91 66.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 72.42 111.103 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -70.96 -29.76 65.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 75.31 111.202 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.89 -29.82 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.406 . . . . 64.31 110.965 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -58.32 -40.62 82.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 74.25 110.981 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.13 -50.08 17.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.23 110.838 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.24 -44.1 92.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.132 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -56.56 -41.68 77.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 74.22 110.856 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -28.89 63.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 60.12 110.787 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.445 ' HB3' HG12 ' A' ' 139' ' ' ILE . 4.6 m-30 -79.85 -28.81 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 75.02 111.02 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.77 16.79 60.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 70.35 112.57 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.71 HG21 ' HG2' ' A' ' 111' ' ' MET . 4.7 pt -110.11 157.08 38.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 72.53 111.472 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.513 ' HG2' HG13 ' A' ' 112' ' ' VAL . 57.1 Cg_endo -71.32 154.78 61.12 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.584 2.189 . . . . 72.44 112.206 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -127.24 118.21 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.94 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.901 HD12 ' HA ' ' A' ' 155' ' ' ALA . 0.2 OUTLIER -124.56 160.15 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 61.42 110.873 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -123.93 138.22 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.697 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 151' ' ' GLY . 28.9 p -145.08 162.03 37.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 75.14 111.182 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.4 p -126.04 122.35 35.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 74.22 110.751 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.585 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -78.57 -21.62 48.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 71.44 111.516 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -85.06 -38.43 19.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.741 0.305 . . . . 73.52 111.209 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -102.08 -19.35 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 70.44 111.508 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 63.82 65.58 0.71 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.926 0.393 . . . . 73.43 110.666 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -124.58 106.97 10.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 53.12 111.047 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.446 ' O ' HG22 ' A' ' 144' ' ' THR . . . 85.15 2.63 87.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 74.14 112.918 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.7 t -52.67 -47.4 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.772 0.32 . . . . 34.21 111.417 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.56 ' HG3' HD23 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -64.04 -31.4 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 72.25 110.775 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -54.64 -54.57 39.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.066 -0.516 . . . . 60.53 111.037 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.901 ' HA ' HD12 ' A' ' 142' ' ' ILE . . . -56.26 -50.57 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 51.0 111.18 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.412 ' HZ ' HD12 ' A' ' 19' ' ' LEU . 45.9 m-85 -61.4 -49.77 75.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.894 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -59.04 -36.12 74.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 74.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.515 HG21 HD11 ' A' ' 142' ' ' ILE . 86.6 m -59.61 -41.62 90.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 50.42 110.826 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.836 HD23 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -59.99 -39.87 87.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 73.22 110.594 179.681 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.549 HG21 ' CD1' ' A' ' 46' ' ' ILE . 19.8 t -59.34 -37.82 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 72.45 110.978 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -76.36 -38.57 55.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 74.4 110.878 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.41 -45.26 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 71.23 110.78 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.443 HD13 ' HB2' ' A' ' 76' ' ' GLU . 89.6 mt -60.53 -57.11 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.952 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -51.5 -32.7 28.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 62.23 111.159 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.0 -37.93 89.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 73.5 110.862 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.168 -0.92 . . . . 75.34 110.877 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.972 0.415 . . . . 75.21 111.225 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.86 145.01 26.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.804 -0.635 . . . . 61.24 110.786 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -94.42 130.71 40.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 75.41 110.692 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -125.3 120.22 30.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.122 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -83.16 119.05 24.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.22 110.621 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.53 ' HB2' HD13 ' A' ' 55' ' ' ILE . 4.0 mm? -110.1 95.32 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.389 -0.369 . . . . 55.23 110.988 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.1 t -81.28 102.31 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.959 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.3 t -82.85 140.92 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 63.31 111.153 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.432 HG12 HH22 ' A' ' 68' ' ' ARG . 35.9 m -149.82 153.16 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 72.01 111.026 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.477 ' HA3' HG21 ' A' ' 14' ' ' VAL . . . -174.01 -85.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.561 -0.828 . . . . 64.42 112.621 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -178.91 -173.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 43.14 111.073 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.76 45.07 2.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.774 -0.726 . . . . 75.15 112.551 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.4 41.99 0.02 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.773 -0.727 . . . . 71.23 112.474 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.477 HG21 ' HA3' ' A' ' 10' ' ' GLY . 6.6 m -117.91 -13.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.02 0.378 . . . . 71.35 112.02 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.18 25.82 42.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.516 -0.85 . . . . 74.34 112.283 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -58.61 -45.04 90.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.932 0.396 . . . . 70.34 110.828 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.9 p -72.16 -34.66 68.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.917 -0.583 . . . . 72.35 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.552 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -56.45 -61.37 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 73.24 111.206 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.13 -27.16 52.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 50.15 111.015 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.897 HG23 HG21 ' A' ' 55' ' ' ILE . 32.1 m -67.91 -48.41 66.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 73.24 110.889 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.401 HD11 ' CZ ' ' A' ' 40' ' ' TYR . 1.4 mp -70.5 -30.01 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 64.15 110.652 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -59.2 -37.75 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.54 110.854 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tp -76.68 -62.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 73.23 111.164 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.46 -48.36 80.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 72.15 110.964 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -112.61 -130.05 0.31 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.235 -0.439 . . . . 51.01 110.077 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 C--N 1.334 -0.093 0 O-C-N 122.063 -0.398 . . . . 71.43 110.882 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CZ ' HD11 ' A' ' 21' ' ' ILE . 7.1 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.853 0.359 . . . . 73.54 110.681 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.521 ' HB2' HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -105.59 133.67 49.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 73.25 111.123 -179.788 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -127.95 144.33 51.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.897 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -96.15 118.59 33.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 70.14 110.973 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.447 HG21 HD11 ' A' ' 53' ' ' LEU . 32.7 m -131.18 171.88 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 73.22 111.212 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 45' ' ' VAL . 9.0 p -128.29 102.47 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 60.21 111.019 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.742 HD13 HG21 ' A' ' 160' ' ' VAL . 3.5 mt -117.64 137.82 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 73.43 110.808 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.86 30.46 14.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.721 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.74 33.9 88.5 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.74 -0.743 . . . . 64.11 112.437 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -146.33 102.26 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 70.32 111.045 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.3 m -57.57 128.41 36.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 74.31 111.01 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 58.5 m -149.6 147.37 28.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 51.1 110.912 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -78.32 149.78 33.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 74.3 110.851 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.473 HD21 HG22 ' A' ' 160' ' ' VAL . 31.7 mt -123.72 75.43 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 71.42 110.929 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.33 97.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.4 110.878 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.897 HG21 HG23 ' A' ' 20' ' ' THR . 21.6 mm -80.76 109.68 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 73.43 111.102 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -101.91 104.31 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 71.4 110.738 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -109.29 134.22 52.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.756 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.8 p -99.7 -173.74 2.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.865 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 23.22 111.187 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mtm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.674 0.273 . . . . 72.35 111.085 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.432 HH22 HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -58.31 -40.06 81.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.402 -0.363 . . . . 71.24 110.907 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -74.48 -31.67 62.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 72.42 110.82 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.559 ' O ' HG23 ' A' ' 74' ' ' THR . 12.6 tt0 -66.05 -38.89 89.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.25 110.869 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -59.54 -39.6 84.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.124 -0.489 . . . . 74.33 111.056 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.53 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.5 mtt -71.97 -46.47 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 64.22 110.699 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.411 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 63.6 mtp180 -67.13 -14.33 62.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.932 -0.576 . . . . 65.23 111.431 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 70' ' ' GLN . 56.1 p -102.84 -23.0 13.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.762 0.315 . . . . 73.5 111.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.416 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -92.56 152.47 21.15 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.676 -0.773 . . . . 63.31 112.888 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -95.52 -15.55 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.613 0.244 . . . . 74.31 111.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.46 -175.55 19.54 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.649 -0.786 . . . . 71.45 112.382 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.529 ' CE1' HG23 ' A' ' 100' ' ' ILE . 73.1 m-85 -152.81 132.34 12.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 74.12 111.139 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.931 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -113.51 111.48 21.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 72.11 110.776 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.669 ' HB3' HD12 ' A' ' 93' ' ' ILE . 3.5 m -93.7 124.03 37.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.823 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.789 ' O ' HD11 ' A' ' 93' ' ' ILE . 3.2 m -115.8 146.13 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 73.31 111.11 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.405 ' HB3' HG13 ' A' ' 93' ' ' ILE . 0.2 OUTLIER -147.22 140.42 25.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.094 -0.503 . . . . 62.12 110.94 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 117' ' ' LYS . . . -89.42 126.64 35.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 62.33 111.022 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.7 HD12 ' HB2' ' A' ' 123' ' ' ARG . 5.1 pt -62.11 -29.98 47.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 61.32 111.161 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -79.02 -24.51 43.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 35.43 111.101 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -110.61 108.26 18.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.405 -0.361 . . . . 64.22 110.744 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 m -70.08 -24.21 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.42 111.083 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -54.22 -41.54 68.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.379 -0.373 . . . . 71.54 111.051 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 m -58.82 -46.12 88.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 74.54 110.847 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.548 ' CE1' HD12 ' A' ' 133' ' ' LEU . 36.0 t80 -54.64 -24.28 20.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 62.43 111.144 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -79.79 -45.76 18.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.326 -0.397 . . . . 73.32 111.143 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.414 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 18.9 m-20 -69.12 -33.61 73.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 70.21 111.129 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.789 HD11 ' O ' ' A' ' 81' ' ' VAL . 23.8 mm -59.68 -26.12 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 116.416 -0.356 . . . . 73.51 111.029 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -76.04 -55.26 5.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 74.14 110.793 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -67.1 -33.95 76.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 75.41 111.28 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 3.7 m-85 -60.19 -48.98 79.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 63.42 110.995 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.436 ' HD2' ' CE1' ' A' ' 137' ' ' TYR . 2.7 ttt180 -54.99 -31.6 61.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 72.14 110.937 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -66.87 -34.95 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 71.33 110.743 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -38.27 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.694 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.529 HG23 ' CE1' ' A' ' 78' ' ' PHE . 32.3 mt -64.54 -47.1 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 53.52 110.837 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -62.21 -27.49 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 54.22 111.071 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -72.46 -58.94 2.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 70.22 110.749 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.53 HG11 ' HB2' ' A' ' 72' ' ' MET . 48.1 t -62.55 -51.27 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 74.44 110.971 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -64.87 -26.24 68.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 75.22 110.813 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 t0 64.96 40.27 5.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 74.02 110.773 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t -157.02 146.23 20.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 45.3 110.78 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -86.03 -26.32 25.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 64.13 111.112 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -105.9 89.67 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.406 -0.361 . . . . 75.1 111.068 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.451 HG21 HG21 ' A' ' 100' ' ' ILE . 24.4 m -116.52 152.58 48.38 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 74.24 111.011 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.93 100.95 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.556 2.171 . . . . 73.43 112.222 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.711 ' HG3' HG21 ' A' ' 139' ' ' ILE . 12.7 ptp -147.99 166.17 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 73.22 111.052 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.801 HG23 HD22 ' A' ' 159' ' ' LEU . 59.3 t -143.7 145.22 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 71.11 111.082 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.2 tp -106.35 103.62 13.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 72.2 110.704 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.792 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 20.3 t -96.81 147.2 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.916 0.389 . . . . 51.24 111.241 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.56 96.36 0.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 71.11 112.437 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -73.29 165.56 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 73.14 110.84 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.403 ' HD2' ' HB1' ' A' ' 83' ' ' ALA . 19.9 mttt 61.17 60.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 72.25 110.852 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 23.9 t -97.86 -15.58 20.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 74.13 111.102 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.503 ' CG ' HG21 ' A' ' 148' ' ' THR . 21.1 t70 -93.31 20.59 6.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.59 -0.277 . . . . 74.25 111.212 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 120' ' ' LEU . 15.0 mt -93.62 174.54 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.722 0.296 . . . . 65.03 110.784 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.79 26.88 9.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 74.21 111.024 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.55 76.93 1.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 54.22 111.272 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.7 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -89.4 107.61 19.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 60.41 110.589 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 33.5 p -83.4 -48.83 9.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.837 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.5 t -83.74 102.86 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 71.55 111.009 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -58.26 159.66 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 65.45 110.903 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.8 t -56.12 -43.64 78.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 54.02 111.056 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -55.72 -37.33 68.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.958 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -69.94 -36.45 75.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.988 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.51 ' HB1' ' CZ ' ' A' ' 141' ' ' TYR . . . -73.29 -41.81 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 73.33 111.129 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -29.31 69.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 64.41 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.41 -44.87 72.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 71.33 111.042 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.548 HD12 ' CE1' ' A' ' 90' ' ' PHE . 20.8 mt -72.08 -47.65 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 52.2 111.025 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -59.82 -38.35 81.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 54.31 111.052 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -76.18 -34.52 59.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.844 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.6 t -74.76 -31.42 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 64.33 110.63 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.436 ' CE1' ' HD2' ' A' ' 97' ' ' ARG . 21.6 m-85 -89.4 -20.43 23.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 63.15 111.033 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.01 17.63 64.8 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.709 -0.758 . . . . 51.01 112.541 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.711 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.4 pt -112.38 156.55 42.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.328 . . . . 73.22 111.487 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.5 ' HG2' HG13 ' A' ' 112' ' ' VAL . 47.2 Cg_endo -69.84 161.99 43.83 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.64 2.227 . . . . 72.5 112.524 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.51 ' CZ ' ' HB1' ' A' ' 130' ' ' ALA . 18.1 t80 -131.4 102.57 6.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 72.21 110.583 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.807 HD11 HG21 ' A' ' 158' ' ' THR . 4.6 mp -105.34 143.47 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 75.52 111.2 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -108.7 132.2 54.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.844 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 19.9 p -149.82 171.48 16.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 71.44 111.182 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.18 128.35 25.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.001 -0.545 . . . . 63.11 110.594 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.552 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -73.0 -14.28 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.14 111.545 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -83.81 -66.12 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.298 . . . . 72.31 111.242 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.503 HG21 ' CG ' ' A' ' 119' ' ' ASP . 47.6 p -77.98 -18.71 55.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 61.22 111.273 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 64.25 60.28 0.97 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.951 0.405 . . . . 60.3 110.709 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -112.43 115.55 28.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 74.31 110.952 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 75.23 9.02 84.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.837 -0.697 . . . . 73.3 112.997 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.83 -54.27 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 120.814 0.34 . . . . 74.0 111.214 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.34 -31.34 70.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.859 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -55.9 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 74.32 110.961 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.792 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -55.74 -48.16 75.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 45.12 111.091 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -58.88 -52.99 63.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 63.34 110.944 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -55.05 -27.48 44.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 73.42 111.108 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.807 HG21 HD11 ' A' ' 142' ' ' ILE . 3.7 m -57.4 -40.25 77.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.359 -0.382 . . . . 64.05 110.888 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.931 HD23 HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -63.5 -43.92 95.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 73.4 110.623 179.777 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.742 HG21 HD13 ' A' ' 46' ' ' ILE . 43.7 t -52.53 -49.53 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.993 -0.549 . . . . 63.42 111.27 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -34.5 77.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 73.22 110.645 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -49.48 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 75.41 110.818 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.452 HD11 HD12 ' A' ' 159' ' ' LEU . 43.9 mt -59.95 -38.95 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.322 -0.399 . . . . 74.43 111.041 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -51.77 -28.14 14.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 70.21 110.848 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -118.58 78.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 75.04 110.9 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 6.5 t60 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.246 -0.883 . . . . 72.35 110.756 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.567 ' HG3' HD12 ' A' ' 52' ' ' LEU . 1.8 pmm? . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.878 0.37 . . . . 72.34 111.413 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.412 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 1.0 OUTLIER -95.04 137.51 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 75.12 110.731 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.682 ' HG3' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -93.23 120.9 34.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.497 . . . . 71.42 111.001 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.412 ' CZ ' HG21 ' A' ' 2' ' ' THR . 44.4 m-85 -111.42 157.43 20.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 70.21 110.911 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.86 101.12 7.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 74.15 110.796 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.793 HD22 HD23 ' A' ' 159' ' ' LEU . 13.9 mt -91.28 112.57 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 74.2 110.94 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.827 HG13 HD23 ' A' ' 56' ' ' LEU . 61.6 t -94.06 102.13 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 45.04 111.332 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.88 140.09 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 74.12 110.843 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.33 -178.67 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 60.13 111.219 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.78 165.57 13.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.854 -0.688 . . . . 43.15 112.553 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.686 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -58.16 141.18 51.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.701 0.286 . . . . 75.31 111.085 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.43 -24.85 11.78 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.889 -0.672 . . . . 74.12 112.764 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.03 49.65 1.0 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 52.1 112.493 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 11' ' ' ALA . 32.7 m -116.34 -9.37 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.575 0.226 . . . . 43.43 111.606 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.77 5.36 78.04 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.706 -0.759 . . . . 65.44 112.767 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.537 ' H ' HG23 ' A' ' 14' ' ' VAL . 3.0 pttt -59.06 -36.26 74.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.879 0.371 . . . . 75.33 110.774 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -58.83 -38.91 79.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 62.53 110.637 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.563 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -69.22 -43.96 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 53.13 111.28 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.618 HD22 HG13 ' A' ' 152' ' ' VAL . 65.9 mt -58.1 -49.55 76.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 65.41 111.071 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.848 HG23 HG21 ' A' ' 55' ' ' ILE . 89.4 m -58.69 -58.88 6.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 75.44 110.991 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.06 -28.86 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.35 111.015 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -73.3 -42.02 62.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.39 -0.368 . . . . 71.45 110.912 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.876 HD13 ' CD2' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -76.31 -8.8 57.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.41 111.348 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.7 mm -114.61 -68.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.834 0.35 . . . . 63.53 111.229 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -84.34 -25.96 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 52.52 111.249 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.064 0.459 . . . . 65.53 110.908 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.802 0.334 . . . . 73.15 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -145.07 112.48 6.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 74.43 110.935 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -126.06 132.71 51.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 62.11 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -87.66 136.0 33.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.923 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.55 HG21 HD11 ' A' ' 53' ' ' LEU . 26.9 m -139.17 176.1 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 71.42 111.098 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.96 100.84 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 74.12 111.152 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.6 mm -90.41 103.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 62.32 111.069 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 60.43 34.9 20.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.43 110.935 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.39 -35.54 4.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 74.14 112.617 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -80.49 123.31 27.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 60.32 110.859 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.9 m -78.24 127.06 31.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 54.34 110.911 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 m -142.21 146.24 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 75.35 110.765 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.682 HD22 ' HG3' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -78.35 149.01 33.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 63.14 110.828 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.55 HD11 HG21 ' A' ' 44' ' ' VAL . 57.7 mt -125.47 91.81 3.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 54.31 110.927 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -85.96 97.95 10.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 73.34 110.847 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.848 HG21 HG23 ' A' ' 20' ' ' THR . 14.1 mm -83.45 110.2 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.108 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.827 HD23 HG13 ' A' ' 7' ' ' VAL . 18.3 tp -83.61 129.05 34.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.809 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -106.0 101.26 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 73.11 110.665 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.7 p -75.43 -176.86 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 71.21 110.986 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.175 -179.866 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.786 0.327 . . . . 71.02 110.842 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -60.67 -29.46 69.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 63.12 110.925 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -27.96 61.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 73.51 111.177 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -69.76 -33.09 71.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.323 -0.399 . . . . 74.43 110.957 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -72.27 -36.08 68.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 73.51 111.051 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.691 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.9 mtt -58.35 -36.05 72.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.307 -0.406 . . . . 74.12 110.94 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -75.59 -16.02 60.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 71.13 111.351 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.5 p -107.0 -18.68 13.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.51 -0.313 . . . . 62.41 111.313 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.88 144.46 17.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 31.14 112.604 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.02 -17.29 29.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.658 0.266 . . . . 62.53 111.165 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.05 -178.84 27.15 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.755 -0.736 . . . . 71.31 112.395 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.512 ' CE1' HG23 ' A' ' 100' ' ' ILE . 36.1 m-85 -148.63 144.51 27.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.868 0.366 . . . . 72.12 111.231 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.576 HD12 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -121.81 121.42 37.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 75.53 110.742 179.785 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.871 ' HB3' HD12 ' A' ' 93' ' ' ILE . 82.9 m -95.96 112.14 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 60.24 110.965 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.2 t -99.62 111.0 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 74.04 111.027 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -116.08 159.56 21.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 71.24 110.631 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.18 124.27 50.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 61.21 110.99 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.792 HD12 ' CB ' ' A' ' 123' ' ' ARG . 1.4 pt -65.39 -28.08 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.916 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -82.64 -8.64 59.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.984 -0.553 . . . . 73.22 111.113 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -123.66 106.67 10.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.752 0.311 . . . . 75.41 110.711 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.2 m -64.1 -29.93 71.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 70.12 111.065 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.18 -47.65 84.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 72.22 111.068 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.4 p -55.18 -45.43 75.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 75.34 111.157 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 28.2 t80 -59.33 -37.36 77.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 72.13 110.933 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.43 -27.72 61.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 72.31 111.109 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.447 ' HA ' ' NE2' ' A' ' 95' ' ' GLN . 67.3 m-20 -76.35 -45.4 32.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 62.35 111.144 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.871 HD12 ' HB3' ' A' ' 80' ' ' CYS . 24.0 mm -47.72 -29.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 74.02 111.005 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -64.2 -54.04 39.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.547 . . . . 63.33 110.868 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.514 ' HG2' ' N ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -68.33 -29.85 68.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 73.35 110.958 -179.437 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.514 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 8.6 m-85 -59.54 -29.52 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.946 -0.57 . . . . 73.54 110.904 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.436 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -73.24 -38.45 66.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.384 . . . . 71.33 110.38 179.654 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.57 -27.48 49.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 75.34 110.864 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -76.5 -33.15 58.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 73.42 110.809 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.522 ' CG2' HG21 ' A' ' 109' ' ' VAL . 54.8 mt -73.02 -49.16 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 61.35 110.924 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -55.48 -38.62 69.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 73.13 111.075 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -59.11 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 75.44 111.024 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.691 HG11 ' HB2' ' A' ' 72' ' ' MET . 41.4 t -61.13 -52.91 56.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 71.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -62.7 -24.66 67.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 72.44 110.764 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.98 35.8 7.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.42 . . . . 73.54 110.706 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.1 t -158.83 140.75 13.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 63.14 110.718 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -74.52 -42.71 58.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 70.31 111.196 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -90.01 82.94 6.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 72.34 111.174 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.522 HG21 ' CG2' ' A' ' 100' ' ' ILE . 25.1 m -105.91 152.44 40.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.347 -0.388 . . . . 72.24 110.881 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.92 109.87 2.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.492 2.128 . . . . 74.31 112.321 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.789 ' HG3' HG21 ' A' ' 139' ' ' ILE . 14.3 ptp -157.04 171.11 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 62.34 111.035 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.553 HG13 ' HG2' ' A' ' 140' ' ' PRO . 47.0 t -143.05 150.51 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 62.31 111.112 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 80' ' ' CYS . 6.9 tp -114.09 112.1 22.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.725 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.822 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 20.9 t -105.15 142.29 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 75.23 111.385 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.45 82.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.881 -0.676 . . . . 70.21 112.364 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -63.71 176.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 74.41 111.031 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.46 ' CA ' HD23 ' A' ' 120' ' ' LEU . 0.0 OUTLIER 60.61 75.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.2 110.822 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 2.6 t -105.1 -25.37 12.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 75.11 111.182 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -99.37 15.66 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.411 -0.359 . . . . 54.34 111.481 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.46 HD23 ' CA ' ' A' ' 117' ' ' LYS . 3.4 mm? -65.05 -20.52 66.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.741 0.305 . . . . 72.25 111.114 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 59.64 19.42 8.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.37 . . . . 34.1 111.284 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -150.67 49.13 0.87 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.816 0.341 . . . . 74.42 111.084 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.792 ' CB ' HD12 ' A' ' 84' ' ' ILE . 6.7 ptp85 -66.41 158.91 28.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 61.42 111.055 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.0 p -128.34 -47.58 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 51.42 110.709 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.6 t -90.76 102.33 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 40.35 111.013 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.08 162.88 1.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.02 110.933 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.4 m -58.56 -43.39 89.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.545 . . . . 65.12 111.197 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -55.4 -50.46 69.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.416 . . . . 71.44 111.086 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -57.41 -41.81 81.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 73.01 111.014 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -70.83 -29.78 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 53.33 111.128 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -29.65 61.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.958 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.56 -44.33 80.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 72.42 110.925 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 16.0 tp -71.7 -49.23 41.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 64.44 110.878 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.62 82.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 72.44 111.153 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 71.44 110.869 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.7 t -70.76 -33.32 70.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 70.02 110.619 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.461 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 4.1 m-30 -74.63 -26.71 60.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 75.42 110.989 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.82 15.02 62.02 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.807 -0.711 . . . . 62.3 112.703 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.789 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.4 pt -113.54 156.62 43.16 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.765 0.317 . . . . 74.43 111.406 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.553 ' HG2' HG13 ' A' ' 112' ' ' VAL . 52.6 Cg_endo -70.05 163.29 39.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.535 2.157 . . . . 73.02 112.138 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -131.56 104.93 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 72.2 110.805 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.921 HD11 HG21 ' A' ' 158' ' ' THR . 1.9 mp -108.47 149.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 65.41 111.047 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -118.51 132.07 56.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 62.32 110.707 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 151' ' ' GLY . 10.0 p -141.23 -178.1 5.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 64.02 111.017 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.514 ' HG ' ' CB ' ' A' ' 148' ' ' THR . 24.4 p -147.52 123.83 10.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.008 -0.542 . . . . 72.01 110.657 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.563 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.87 -33.29 68.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.338 -0.392 . . . . 74.12 111.316 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -78.72 -49.71 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 52.24 111.147 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.514 ' CB ' ' HG ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -81.48 -23.43 37.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.391 . . . . 72.13 111.231 -179.79 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.72 ' HD2' HG21 ' A' ' 152' ' ' VAL . 27.0 mmm-85 61.46 65.77 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.92 0.391 . . . . 74.01 110.617 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -122.1 124.9 44.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 61.15 111.035 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 144' ' ' THR . . . 54.08 24.45 28.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.904 -0.665 . . . . 71.21 112.818 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.72 HG21 ' HD2' ' A' ' 149' ' ' ARG . 21.9 t -58.64 -55.39 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 62.24 111.056 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.439 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 9.7 mt-10 -64.29 -30.03 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 64.14 110.947 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -58.86 -33.25 70.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.255 -0.43 . . . . 73.33 110.923 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.822 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -71.7 -39.26 70.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 62.25 111.218 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.876 ' CD2' HD13 ' A' ' 23' ' ' LEU . 41.7 m-85 -72.83 -49.49 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.248 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.8 m-85 -53.65 -30.74 44.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 73.51 111.202 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.921 HG21 HD11 ' A' ' 142' ' ' ILE . 79.3 m -58.34 -40.94 83.52 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.917 0.389 . . . . 73.43 110.84 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.793 HD23 HD22 ' A' ' 6' ' ' LEU . 49.0 tp -61.4 -40.58 94.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 54.44 110.522 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.7 t -51.74 -47.78 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.953 -0.567 . . . . 75.43 111.134 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -67.98 -28.7 67.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.765 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -72.77 -52.23 15.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 72.41 110.824 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 29.2 mt -57.59 -48.32 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.291 -0.413 . . . . 71.23 111.127 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -57.05 -38.14 72.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.802 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 75.32 110.795 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.266 -0.874 . . . . 62.43 110.88 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.691 ' SD ' HG22 ' A' ' 50' ' ' THR . 2.6 tpp . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.918 0.39 . . . . 74.0 111.221 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.473 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -83.87 149.75 26.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 55.01 110.696 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -104.45 117.71 34.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 72.34 110.749 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.473 ' CZ ' HG21 ' A' ' 2' ' ' THR . 47.6 m-85 -109.1 108.81 19.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 53.02 111.135 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.08 91.95 9.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.722 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.874 HD12 ' CD1' ' A' ' 55' ' ' ILE . 10.7 mt -88.47 112.23 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.032 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.428 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 94.8 t -87.8 133.84 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 120.987 0.422 . . . . 51.35 111.007 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 t -116.65 117.06 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 115.811 -0.631 . . . . 74.41 111.134 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.594 HG12 HH12 ' A' ' 68' ' ' ARG . 32.8 m -94.11 167.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 72.11 110.987 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.411 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -120.23 -170.05 14.18 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 73.42 112.57 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.544 ' HB3' ' OG ' ' A' ' 89' ' ' SER . . . 178.36 37.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 72.14 111.345 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.73 135.3 0.01 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.837 -0.697 . . . . 73.01 112.867 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.23 22.95 63.67 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.854 -0.689 . . . . 44.31 112.911 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.692 HG23 ' NZ ' ' A' ' 16' ' ' LYS . 13.1 m -123.15 102.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 71.11 111.249 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.74 60.29 2.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.848 -0.691 . . . . 74.31 112.536 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.692 ' NZ ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -64.33 -19.05 65.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 72.13 110.941 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -80.01 -35.72 36.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.909 0.385 . . . . 55.24 110.817 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.584 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -56.49 -54.91 40.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.939 -0.573 . . . . 75.25 111.085 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 pp -59.63 -26.58 65.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 65.5 111.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 m -65.43 -52.39 53.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 73.14 111.199 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.505 HD11 ' CZ ' ' A' ' 40' ' ' TYR . 1.2 mp -60.86 -28.55 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.22 111.1 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -55.31 -40.81 71.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 62.43 110.873 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 tp -76.71 -39.62 51.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.921 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.468 HD13 ' HG2' ' A' ' 42' ' ' LYS . 24.2 mm -61.78 -55.04 26.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.349 -0.387 . . . . 53.3 111.196 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -125.84 -98.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 64.31 110.766 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.5 p30 . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.874 0.368 . . . . 44.1 110.932 179.851 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 21' ' ' ILE . 7.4 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.768 0.318 . . . . 70.02 110.601 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 ptt85 -143.42 139.54 29.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 74.22 110.788 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.468 ' HG2' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -133.29 138.77 46.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.832 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -100.72 114.73 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 74.52 110.96 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.6 m -132.4 -174.65 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.862 -0.608 . . . . 72.14 110.708 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 45' ' ' VAL . 6.2 p -127.85 109.03 19.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 70.14 111.15 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.916 HG13 HG11 ' A' ' 160' ' ' VAL . 4.2 mm -97.62 115.37 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.887 -0.597 . . . . 64.23 111.002 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t70 65.22 42.18 4.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 75.41 111.052 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.66 21.7 69.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 55.1 112.769 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -127.8 97.14 4.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.832 0.349 . . . . 73.41 110.751 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.691 HG22 ' SD ' ' A' ' 1' ' ' MET . 68.5 m -52.11 132.64 33.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.54 111.006 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 62.3 m -154.42 157.1 37.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 74.24 110.826 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.82 140.14 29.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.839 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.2 mt -122.43 90.95 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 73.23 110.943 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.24 91.38 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 71.1 110.806 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.874 ' CD1' HD12 ' A' ' 6' ' ' LEU . 10.0 mm -78.88 114.59 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 75.53 110.975 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.626 HD21 ' CG2' ' A' ' 58' ' ' THR . 0.4 OUTLIER -98.52 123.35 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 74.3 110.765 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -118.07 92.62 3.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 73.5 110.832 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.626 ' CG2' HD21 ' A' ' 56' ' ' LEU . 16.4 p -75.44 -175.97 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 74.05 110.842 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 71.12 111.243 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.808 0.337 . . . . 62.22 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.594 HH12 HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -59.0 -39.57 82.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 75.32 110.805 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.96 -23.61 62.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 65.43 110.661 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -78.46 -48.01 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.813 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -72.95 -48.86 33.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.915 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.9 mtt -56.64 -33.1 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 75.03 110.841 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.43 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 72.3 mtp180 -81.12 -21.57 39.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 75.23 111.018 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.3 p -103.6 12.8 34.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 53.23 111.131 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.09 134.14 12.05 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.468 -0.872 . . . . 74.41 112.728 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -80.9 -17.06 51.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.654 0.264 . . . . 53.33 111.127 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.46 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -160.55 167.74 35.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 73.01 112.435 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.547 ' CE2' HG23 ' A' ' 100' ' ' ILE . 99.0 m-85 -132.14 138.04 47.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 73.34 111.079 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.067 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -116.25 123.31 47.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.679 179.728 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.833 ' HB3' HD12 ' A' ' 93' ' ' ILE . 88.1 m -96.22 105.73 17.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 71.35 110.97 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.5 t -102.04 111.39 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 72.33 111.072 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.586 ' CD1' HD11 ' A' ' 113' ' ' LEU . 8.5 p90 -124.14 144.59 49.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.03 110.791 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.13 123.69 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 71.22 110.979 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.679 HD12 ' HB2' ' A' ' 123' ' ' ARG . 4.3 pt -61.71 -26.02 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.303 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -76.46 -28.82 56.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 60.3 111.098 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -108.38 111.11 22.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 75.11 110.909 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.9 m -72.23 -24.29 61.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.182 -0.463 . . . . 61.4 111.062 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -59.25 -37.41 77.51 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.896 0.379 . . . . 75.52 110.589 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.544 ' OG ' ' HB3' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -70.76 -33.48 70.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 71.02 110.515 179.648 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.66 -31.6 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 74.04 110.638 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.12 -31.66 55.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 41.52 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 95' ' ' GLN . 0.5 OUTLIER -68.86 -31.8 71.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 64.32 110.89 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.833 HD12 ' HB3' ' A' ' 80' ' ' CYS . 26.8 mm -59.43 -30.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 72.32 110.695 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -72.49 -55.42 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.14 111.088 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 0.1 OUTLIER -67.31 -28.81 68.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 53.22 111.027 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.411 ' CE2' ' O ' ' A' ' 10' ' ' GLY . 5.3 m-85 -69.84 -48.23 59.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 70.3 110.627 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.46 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -54.53 -31.71 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 73.02 111.006 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.81 -38.72 92.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 55.14 111.069 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.32 -41.87 90.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 73.45 111.016 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.687 HG21 HG21 ' A' ' 109' ' ' VAL . 25.8 mt -58.85 -46.75 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 72.04 110.95 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -55.91 -31.4 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 72.12 111.071 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.31 -58.94 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.765 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.43 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 44.4 t -59.58 -58.64 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 54.14 110.937 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -59.27 -24.81 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.897 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 64.69 42.5 4.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 74.33 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.5 p -161.98 159.24 26.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 70.45 110.753 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -93.0 -24.11 18.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 72.21 111.159 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -108.89 85.66 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 63.14 111.064 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.687 HG21 HG21 ' A' ' 100' ' ' ILE . 14.5 m -108.5 151.2 41.48 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 71.15 110.943 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -68.52 101.12 0.72 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.521 2.147 . . . . 74.45 111.998 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.769 ' HG3' HG21 ' A' ' 139' ' ' ILE . 8.7 ptp -150.15 166.52 29.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 73.52 111.262 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.817 HG23 HD22 ' A' ' 159' ' ' LEU . 49.6 t -141.84 147.43 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.881 -0.599 . . . . 73.14 110.956 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.586 HD11 ' CD1' ' A' ' 82' ' ' PHE . 6.7 tp -106.44 101.51 10.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 71.34 110.927 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.737 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 20.4 t -99.4 143.5 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 70.42 111.113 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -118.46 95.44 0.63 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 65.31 112.477 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -69.06 174.82 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 72.44 110.833 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.516 ' HB3' HD12 ' A' ' 120' ' ' LEU . 3.8 mttt 60.22 61.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 75.41 110.876 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.6 t -97.18 -27.45 14.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 63.41 110.941 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -74.39 -26.06 59.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 50.13 111.171 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 117' ' ' LYS . 10.7 mt -52.01 145.19 10.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.37 -0.377 . . . . 71.15 111.053 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.86 29.32 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 64.24 111.196 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.43 74.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 64.23 111.026 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.679 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.4 OUTLIER -92.84 114.12 26.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.538 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.4 p -86.36 -50.67 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 55.02 110.798 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.69 96.74 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.876 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -55.17 156.11 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 62.31 110.968 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.7 t -54.58 -24.39 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 61.44 111.221 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -59.85 -52.41 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.395 . . . . 73.12 110.948 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -59.61 -40.36 87.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.42 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.09 66.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 51.41 111.183 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.86 -44.35 32.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 71.33 110.969 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -59.09 -33.73 71.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 71.13 110.935 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.5 HD11 ' OH ' ' A' ' 137' ' ' TYR . 20.2 tp -81.21 -51.45 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 71.23 110.796 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.414 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -58.56 -46.45 86.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.422 . . . . 44.22 111.167 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -59.09 -28.43 66.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 74.22 111.001 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.3 m -74.29 -40.74 62.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 42.33 110.766 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.5 ' OH ' HD11 ' A' ' 133' ' ' LEU . 18.9 m-85 -70.29 -21.58 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 71.21 111.073 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.66 17.34 64.03 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.667 -0.778 . . . . 62.44 112.477 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.769 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.1 pt -110.46 156.77 39.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.714 0.292 . . . . 50.52 111.322 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.454 ' HG2' HG13 ' A' ' 112' ' ' VAL . 54.7 Cg_endo -69.88 149.47 66.17 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.592 2.194 . . . . 73.4 112.484 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -120.58 117.68 28.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.644 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 1.002 HD11 HG21 ' A' ' 158' ' ' THR . 3.2 mp -124.2 147.81 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.43 111.089 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -116.82 135.84 53.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 70.33 110.813 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 151' ' ' GLY . 27.3 p -146.23 179.88 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 64.34 111.084 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.2 118.13 8.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.025 -0.534 . . . . 75.14 110.73 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.584 ' HB1' ' CB ' ' A' ' 18' ' ' ALA . . . -65.8 -27.2 68.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 74.3 111.353 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -75.87 -65.86 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.429 -0.35 . . . . 64.42 111.162 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 p -73.84 -20.61 60.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 72.23 111.409 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 63.7 66.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.938 0.399 . . . . 72.22 110.716 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.52 125.02 48.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 75.01 111.031 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.437 ' O ' HG22 ' A' ' 144' ' ' THR . . . 59.07 18.18 40.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.824 -0.703 . . . . 40.31 112.938 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.5 t -54.8 -55.31 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.912 0.386 . . . . 64.44 111.105 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -61.08 -35.62 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 72.45 110.711 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.06 -54.1 17.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 73.22 111.06 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.737 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -63.7 -33.15 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.968 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.03 -55.58 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 73.33 110.835 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -57.15 -29.52 63.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 74.42 111.006 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' THR . . . . . 1.002 HG21 HD11 ' A' ' 142' ' ' ILE . 69.9 m -58.95 -45.97 89.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 63.13 110.856 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 1.067 HD23 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -53.76 -43.33 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 64.15 111.057 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.916 HG11 HG13 ' A' ' 46' ' ' ILE . 11.4 t -56.39 -51.79 59.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 54.24 111.205 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -57.05 -31.72 65.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 62.43 111.124 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.63 -39.87 76.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 70.21 110.828 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 44.5 mt -69.07 -41.28 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 50.32 111.255 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -54.59 23.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.451 . . . . 51.03 111.145 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -67.12 -30.19 70.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 75.25 110.963 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.081 -0.961 . . . . 72.21 110.741 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.694 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.986 0.422 . . . . 73.31 111.353 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.5 147.64 26.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.793 -0.64 . . . . 54.45 110.784 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.53 124.58 48.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 64.45 110.744 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -115.58 121.28 42.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 74.44 111.024 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -90.06 93.75 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 63.11 110.728 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 159' ' ' LEU . 3.9 mm? -81.55 95.29 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 61.02 111.062 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.445 HG21 ' HA3' ' A' ' 75' ' ' GLY . 33.7 t -82.53 102.17 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 73.43 111.058 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.27 138.66 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 72.25 111.179 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -124.93 169.5 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.023 -0.535 . . . . 60.11 110.901 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.75 156.46 27.99 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.565 -0.826 . . . . 42.12 112.7 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 92' ' ' ASP . . . -95.77 20.37 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.725 0.298 . . . . 72.31 111.222 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.51 39.26 22.47 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.686 -0.769 . . . . 51.14 112.891 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.34 43.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.484 -0.865 . . . . 43.51 113.074 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.482 HG12 ' OG ' ' A' ' 89' ' ' SER . 34.8 m -111.73 -28.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 61.15 111.269 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.69 21.75 10.97 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.777 -0.725 . . . . 74.11 112.741 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -29.81 68.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 73.34 111.098 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 p -77.87 -34.03 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 64.35 111.106 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.666 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -68.29 -28.43 67.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 74.41 111.359 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.561 ' CD2' HG12 ' A' ' 152' ' ' VAL . 54.1 mt -75.09 -40.53 59.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 71.45 110.979 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.842 HG23 HG21 ' A' ' 55' ' ' ILE . 96.2 m -57.77 -57.58 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.874 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.1 mt -59.96 -39.4 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.828 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.83 -35.88 75.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.158 -0.474 . . . . 74.2 110.69 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.757 HD13 ' O ' ' A' ' 23' ' ' LEU . 3.4 tm? -71.19 -25.6 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 64.0 110.942 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.562 HG22 ' N ' ' A' ' 25' ' ' GLN . 2.3 mp -106.83 -79.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 70.21 111.02 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.562 ' N ' HG22 ' A' ' 24' ' ' ILE . 35.4 mt-30 -60.94 -34.81 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 64.33 111.344 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.851 -179.859 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.428 ' HB2' HD13 ' A' ' 24' ' ' ILE . 4.2 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.805 0.336 . . . . 73.45 110.874 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -117.16 114.67 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 73.41 110.928 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.454 ' HD2' HD13 ' A' ' 23' ' ' LEU . 28.2 tttt -110.26 146.75 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 73.34 110.949 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -100.77 121.94 42.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.737 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.519 HG21 ' HE1' ' A' ' 157' ' ' TYR . 28.3 m -137.1 -177.19 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 52.43 111.126 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.3 t -121.91 100.91 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 62.53 111.009 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.648 HG13 HG11 ' A' ' 160' ' ' VAL . 9.1 mm -84.63 100.72 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.992 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 63.31 57.55 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 74.35 110.873 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.86 27.28 61.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 75.33 112.582 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -134.16 104.7 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 65.54 110.901 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -58.99 122.32 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 55.01 110.961 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.2 m -148.5 145.46 27.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 53.14 110.883 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.694 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -78.59 150.93 32.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 71.32 110.837 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 53' ' ' LEU . 18.0 mt -127.31 73.64 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.752 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.0 99.43 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 75.34 110.925 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.842 HG21 HG23 ' A' ' 20' ' ' THR . 17.8 mm -79.51 108.31 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.975 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.563 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.2 tm? -89.32 102.45 15.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 62.32 110.925 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -104.56 107.96 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 71.11 110.848 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.545 ' CG2' HD11 ' A' ' 56' ' ' LEU . 17.2 p -89.23 -175.98 4.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 71.05 110.979 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 72.32 111.033 179.879 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.409 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 9.5 mmt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.78 0.324 . . . . 75.21 110.887 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -34.32 70.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.1 110.97 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.14 -34.1 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.522 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 74' ' ' THR . 4.2 tp-100 -64.64 -43.74 92.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 62.02 110.738 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.409 ' CD2' ' O ' ' A' ' 67' ' ' MET . 14.8 m-85 -72.38 -44.2 62.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 71.55 111.027 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.428 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.4 mmt -59.17 -50.0 75.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.031 0.443 . . . . 75.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.449 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 52.2 mtp180 -61.42 -35.05 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.857 -0.61 . . . . 73.54 111.163 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 70' ' ' GLN . 75.7 p -85.92 -16.2 39.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 62.21 111.402 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.445 ' HA3' HG21 ' A' ' 7' ' ' VAL . . . -80.96 137.04 17.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.622 -0.799 . . . . 63.42 112.779 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -89.72 -12.47 39.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.602 0.239 . . . . 63.24 110.93 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.83 178.35 35.06 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.878 -0.677 . . . . 72.2 112.237 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.769 ' O ' HD21 ' A' ' 159' ' ' LEU . 15.9 m-85 -148.67 148.34 29.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.309 . . . . 73.1 111.068 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.63 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -119.38 113.72 21.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.22 110.869 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.497 ' HB3' HG23 ' A' ' 93' ' ' ILE . 86.6 m -90.01 106.76 18.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.312 -0.404 . . . . 72.41 111.041 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.628 ' HA ' HG23 ' A' ' 114' ' ' VAL . 48.0 t -102.02 120.48 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 64.24 111.059 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.436 ' CB ' HG13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -122.52 144.1 49.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 75.34 110.922 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.39 124.56 38.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.406 . . . . 72.24 111.176 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.672 HD12 ' CB ' ' A' ' 123' ' ' ARG . 5.6 pt -64.87 -28.82 45.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 72.23 110.91 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.92 9.72 21.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.863 -0.608 . . . . 71.14 111.357 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -138.26 94.18 2.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.831 0.348 . . . . 74.35 110.898 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -59.27 -24.58 63.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 72.2 111.089 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -44.83 72.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.346 -0.388 . . . . 73.04 110.746 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.482 ' OG ' HG12 ' A' ' 14' ' ' VAL . 5.1 t -56.97 -43.8 81.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.984 0.421 . . . . 61.41 110.693 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.445 ' CE1' HD22 ' A' ' 133' ' ' LEU . 10.2 t80 -59.56 -25.3 64.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 74.34 110.841 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -77.71 -35.23 52.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 64.11 110.991 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.453 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 22.2 m-20 -75.23 -34.06 61.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 73.43 111.072 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.716 HG21 HD21 ' A' ' 113' ' ' LEU . 20.9 mm -59.77 -29.39 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.281 -0.418 . . . . 70.33 110.945 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -73.95 -55.45 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.872 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.66 -28.52 68.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.15 111.212 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.2 m-85 -58.12 -35.19 71.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 73.3 111.011 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -61.03 -39.35 89.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 70.11 110.822 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -57.38 -30.04 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 70.13 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -37.1 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 61.31 110.802 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.703 HG21 HG11 ' A' ' 109' ' ' VAL . 55.4 mt -70.06 -50.6 46.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 62.13 111.138 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -50.73 -40.23 53.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 71.32 110.955 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -62.74 -59.08 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.31 111.14 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 61.2 t -57.64 -63.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 62.44 110.982 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -59.58 -24.07 63.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 63.42 110.727 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.1 t0 60.55 43.25 13.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.693 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 m -148.33 145.87 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 64.13 111.01 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -83.76 -28.34 28.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 74.22 111.039 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -103.54 78.42 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 73.24 111.115 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.703 HG11 HG21 ' A' ' 100' ' ' ILE . 41.4 t -90.75 136.04 28.32 Favored Pre-proline 0 N--CA 1.446 -0.649 0 CA-C-O 121.066 0.46 . . . . 73.22 111.024 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.481 ' HD2' HG13 ' A' ' 109' ' ' VAL . 60.4 Cg_endo -74.66 101.04 1.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 123.071 2.514 . . . . 70.42 112.232 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.27 175.91 10.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 73.21 111.021 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.828 HG23 HD22 ' A' ' 159' ' ' LEU . 24.0 t -141.62 152.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 75.32 111.376 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.77 HD13 ' N ' ' A' ' 114' ' ' VAL . 0.8 OUTLIER -109.06 132.89 53.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 74.44 110.713 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.876 HG11 ' HB1' ' A' ' 155' ' ' ALA . 5.0 m -133.26 157.57 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.41 . . . . 73.41 111.342 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.14 78.28 0.28 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 73.32 112.491 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.45 165.65 0.23 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.791 0.329 . . . . 72.52 111.053 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm 60.35 59.63 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 55.51 110.872 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.6 t -99.05 7.27 46.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 64.42 111.388 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -108.84 -23.42 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.735 0.302 . . . . 73.51 111.022 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.7 mt -52.1 171.17 0.05 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 73.14 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.49 25.59 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.392 -0.367 . . . . 71.34 111.42 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.86 59.32 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.36 . . . . 64.31 111.154 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.672 ' CB ' HD12 ' A' ' 84' ' ' ILE . 4.3 ptt180 -80.99 154.89 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 74.55 110.944 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.7 p -118.05 -50.38 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 33.52 110.662 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.7 t -87.76 103.87 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 73.33 110.894 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.03 157.45 1.76 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 62.23 111.127 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -49.36 76.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 71.03 111.287 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -34.94 60.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 75.44 111.115 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -65.3 -34.58 78.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 62.4 110.668 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 141' ' ' TYR . . . -78.15 -33.41 50.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.043 -0.526 . . . . 74.25 111.163 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -31.99 72.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 71.13 110.942 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -61.01 -36.85 80.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 75.44 110.865 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.445 HD22 ' CE1' ' A' ' 90' ' ' PHE . 21.5 tp -73.17 -51.48 17.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 63.14 110.882 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.22 99.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 74.31 111.096 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -60.83 -30.62 70.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 74.31 110.863 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.1 t -74.13 -32.4 63.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.661 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.406 ' HB2' HG12 ' A' ' 139' ' ' ILE . 20.5 m-85 -81.17 -15.67 55.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 74.42 111.264 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.37 15.46 64.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.614 -0.803 . . . . 73.44 112.586 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 137' ' ' TYR . 19.2 pt -110.73 155.12 42.79 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.669 0.271 . . . . 60.31 111.312 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.602 ' HG2' HG13 ' A' ' 112' ' ' VAL . 55.2 Cg_endo -70.11 161.19 46.89 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.576 2.184 . . . . 71.33 112.388 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.574 ' CD1' HD12 ' A' ' 113' ' ' LEU . 89.1 t80 -124.04 115.99 22.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.898 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.827 HD11 HG21 ' A' ' 158' ' ' THR . 2.3 mp -114.66 160.33 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 73.23 111.089 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.468 ' N ' HG22 ' A' ' 142' ' ' ILE . 10.5 mt-10 -124.08 119.77 30.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.422 . . . . 64.14 110.917 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 151' ' ' GLY . 70.4 p -134.93 170.81 15.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 75.52 111.127 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.6 p -139.81 115.2 9.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 50.0 110.772 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.666 ' HB1' ' CB ' ' A' ' 18' ' ' ALA . . . -66.51 -23.11 66.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 64.24 111.323 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -83.42 -65.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.452 -0.34 . . . . 62.34 111.136 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 p -71.24 -21.73 62.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 62.24 111.354 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.25 68.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.861 0.363 . . . . 72.54 110.646 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.08 119.4 33.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 60.44 110.981 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.547 ' O ' HG22 ' A' ' 144' ' ' THR . . . 58.26 19.21 38.61 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.826 -0.702 . . . . 55.24 112.91 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 19' ' ' LEU . 22.5 m -55.67 -36.0 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.747 0.308 . . . . 61.03 111.205 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.497 ' HG3' HD23 ' A' ' 23' ' ' LEU . 4.3 mp0 -74.45 -34.26 63.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.89 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -40.23 76.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 71.1 110.792 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.876 ' HB1' HG11 ' A' ' 114' ' ' VAL . . . -69.52 -41.63 75.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 61.31 111.155 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -66.08 -48.32 71.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 75.24 111.145 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.519 ' HE1' HG21 ' A' ' 44' ' ' VAL . 18.8 m-85 -57.58 -37.03 72.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.367 -0.379 . . . . 75.43 111.107 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.827 HG21 HD11 ' A' ' 142' ' ' ILE . 25.6 m -55.75 -34.72 65.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.295 -0.411 . . . . 70.41 111.087 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.828 HD22 HG23 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -62.85 -38.53 91.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 65.0 110.801 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.648 HG11 HG13 ' A' ' 46' ' ' ILE . 5.0 t -63.23 -39.92 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 63.12 111.065 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -68.82 -33.31 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.35 110.951 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.43 -50.79 34.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.03 111.009 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.709 HD11 HD12 ' A' ' 159' ' ' LEU . 71.9 mt -59.64 -42.39 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.367 -0.379 . . . . 74.32 111.204 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -60.92 -33.91 73.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 75.41 110.964 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -72.04 -38.03 69.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.869 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 75.24 110.863 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.62 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.794 0.331 . . . . 74.41 111.265 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.94 149.91 21.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 64.41 110.744 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -103.83 114.89 29.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 63.33 110.81 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -105.67 140.16 39.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 54.12 111.085 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 5.2 mmtt -115.64 92.36 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.785 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.689 HD12 ' CD1' ' A' ' 55' ' ' ILE . 10.4 mt -83.97 124.72 31.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 63.44 111.223 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.25 107.61 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 73.15 110.97 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.2 t -80.93 143.08 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 71.13 111.244 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.499 HG23 ' HA ' ' A' ' 80' ' ' CYS . 29.7 m -146.42 136.9 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.01 111.049 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.23 144.37 8.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 54.41 112.526 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.58 ' HB2' ' OD2' ' A' ' 92' ' ' ASP . . . -66.27 98.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.325 . . . . 61.52 111.051 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.66 -117.95 12.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 44.34 112.474 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.47 -84.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 34.43 112.396 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.481 HG11 ' OG ' ' A' ' 89' ' ' SER . 12.9 m 40.97 31.49 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.778 0.323 . . . . 45.54 111.765 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.41 34.32 33.9 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.808 -0.71 . . . . 44.34 112.765 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -75.56 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 75.14 110.988 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -30.14 71.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 54.45 110.943 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.593 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -69.24 -43.14 74.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 72.21 111.269 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mt -54.22 -50.54 66.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 74.31 111.203 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.643 HG23 ' CG2' ' A' ' 55' ' ' ILE . 95.7 m -58.94 -54.0 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.027 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.455 HG23 ' HB2' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -59.16 -41.1 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 71.24 111.087 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' CG ' HG11 ' A' ' 152' ' ' VAL . 4.3 tp-100 -56.67 -35.64 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 64.42 110.95 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.688 HD23 HG13 ' A' ' 55' ' ' ILE . 35.1 tp -76.71 -24.87 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 54.12 111.443 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.557 HD13 ' HD2' ' A' ' 42' ' ' LYS . 22.4 mm -109.65 -76.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.622 -0.263 . . . . 74.43 111.528 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.455 ' HB2' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -63.94 -20.4 65.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 65.21 111.026 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 C--N 1.333 -0.144 0 CA-C-N 116.318 -0.401 . . . . 44.04 111.623 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.901 0.381 . . . . 73.22 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -140.25 138.0 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 75.21 110.765 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.557 ' HD2' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -133.83 144.47 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 74.11 111.008 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -108.79 118.95 38.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.821 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.15 -179.43 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.13 111.178 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.08 102.51 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 72.24 111.07 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.673 ' CD1' HG21 ' A' ' 160' ' ' VAL . 21.5 mt -118.27 137.42 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.31 111.079 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.79 33.03 21.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 73.24 110.961 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.7 28.16 65.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.677 -0.773 . . . . 62.53 112.471 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -142.14 112.6 7.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 34.42 110.897 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.4 m -58.67 128.42 37.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 74.21 110.874 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.7 m -148.74 150.1 32.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 64.03 111.036 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.62 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -87.41 142.27 28.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 72.33 110.777 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.6 mt -114.21 101.83 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 74.03 110.988 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -91.07 92.98 8.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 73.34 110.703 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.689 ' CD1' HD12 ' A' ' 6' ' ' LEU . 9.3 mm -83.13 108.96 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 51.41 111.157 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.517 HD21 ' CG2' ' A' ' 58' ' ' THR . 0.2 OUTLIER -97.75 129.28 44.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 53.15 110.389 179.735 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.52 ' HB2' HG21 ' A' ' 20' ' ' THR . 4.1 t70 -115.16 102.64 10.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 62.42 111.01 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.517 ' CG2' HD21 ' A' ' 56' ' ' LEU . 10.8 p -87.25 -175.21 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 64.21 110.748 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 62.1 111.005 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.7 mtm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.798 0.332 . . . . 61.45 110.739 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.5 ttp85 -58.0 -37.76 74.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 64.44 110.687 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.31 -25.73 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 71.24 110.743 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -71.69 -31.42 66.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 74.23 111.007 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -74.04 -31.09 62.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.394 . . . . 72.13 111.04 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.56 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.2 mtt -62.49 -51.75 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 63.51 110.915 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.408 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 70.7 mtp180 -62.93 -20.0 64.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.532 . . . . 74.34 111.117 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.4 p -104.24 1.65 30.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 71.51 111.432 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.429 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -106.34 140.55 15.23 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.666 -0.778 . . . . 72.33 112.732 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 2.5 mt-10 -84.08 -20.97 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 65.35 110.818 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.67 177.2 32.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.823 -0.703 . . . . 62.31 112.26 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -141.65 136.85 31.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.355 . . . . 60.22 110.969 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.588 HD21 HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -113.64 104.74 12.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 63.51 110.908 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.503 ' O ' HD12 ' A' ' 113' ' ' LEU . 15.3 m -89.66 115.33 26.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 71.2 110.718 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.56 ' O ' HD11 ' A' ' 93' ' ' ILE . 3.1 m -100.61 146.12 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 74.53 111.127 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.15 139.5 33.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.506 . . . . 75.43 110.701 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.45 124.43 38.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 75.41 111.233 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.876 HD12 ' HB3' ' A' ' 123' ' ' ARG . 1.9 pt -61.77 -18.45 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.399 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.55 17.58 22.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.479 -0.328 . . . . 72.33 111.141 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.59 87.26 2.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.866 0.365 . . . . 75.52 110.7 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.435 HG23 HG22 ' A' ' 125' ' ' VAL . 1.3 m -55.18 -24.67 28.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 64.21 111.236 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -72.92 -32.49 65.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.394 -0.366 . . . . 70.44 110.735 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.481 ' OG ' HG11 ' A' ' 14' ' ' VAL . 10.9 t -70.42 -38.44 74.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 55.12 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.431 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 8.4 t80 -56.5 -36.83 69.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.764 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.8 -27.16 60.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 62.23 111.006 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.58 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -69.27 -32.11 71.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 75.21 110.952 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.56 HD11 ' O ' ' A' ' 81' ' ' VAL . 31.0 mm -60.16 -30.23 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 72.01 111.137 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -72.82 -55.51 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.843 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -65.77 -28.69 69.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 74.53 111.163 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.1 m-85 -58.03 -36.37 72.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.355 -0.384 . . . . 74.42 111.003 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.435 ' HD2' ' HE3' ' A' ' 111' ' ' MET . 0.0 OUTLIER -68.93 -32.59 72.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 74.02 110.736 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.9 -30.05 69.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.884 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -73.3 -41.63 63.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.426 . . . . 74.12 110.904 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.48 HG21 HG21 ' A' ' 109' ' ' VAL . 15.1 mt -69.09 -46.37 78.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.963 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -57.88 -29.03 64.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.23 111.016 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -58.69 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 54.43 110.797 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 72' ' ' MET . 26.2 t -60.74 -58.1 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 75.11 111.057 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -63.46 -23.41 67.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 53.5 111.181 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 61.36 44.71 9.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.005 0.431 . . . . 51.32 110.828 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t -152.44 136.88 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 74.34 110.815 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -32.2 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 75.35 110.884 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.69 94.86 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.029 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 100' ' ' ILE . 29.1 m -113.19 153.35 45.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 54.15 110.987 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 57.5 Cg_endo -70.94 107.99 2.21 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.636 2.224 . . . . 71.5 112.375 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.822 ' HG3' HG21 ' A' ' 139' ' ' ILE . 12.4 ptp -152.53 173.93 14.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.931 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.674 HG13 ' HG2' ' A' ' 140' ' ' PRO . 17.7 t -145.47 153.59 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 74.02 111.17 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.815 HD23 ' HB2' ' A' ' 134' ' ' ALA . 5.9 tp -114.61 106.31 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 60.32 110.923 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.733 HG22 ' HB1' ' A' ' 155' ' ' ALA . 21.3 t -98.83 150.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.33 111.257 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.36 97.86 0.79 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 34.03 112.355 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.508 HD21 ' HB2' ' A' ' 146' ' ' ALA . 4.1 t-20 -75.51 161.58 29.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 73.33 110.999 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.529 ' HB3' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER 59.25 69.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.949 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.4 t -116.68 24.52 11.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 73.22 111.015 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.559 ' CG ' HG21 ' A' ' 148' ' ' THR . 29.7 t70 -111.12 -55.78 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 74.43 110.835 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.706 ' H ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -54.42 158.16 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 71.42 110.939 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -108.9 43.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 62.4 111.163 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.69 56.36 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 63.54 111.114 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.876 ' HB3' HD12 ' A' ' 84' ' ' ILE . 1.4 ptt-85 -96.32 160.23 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.422 . . . . 72.32 111.056 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.8 p -114.85 -37.08 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 53.13 110.768 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.648 HG13 ' CD ' ' A' ' 129' ' ' GLN . 88.3 t -101.48 141.88 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 53.42 110.781 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -94.62 158.18 15.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 73.51 110.777 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -17.81 64.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 72.21 111.22 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -61.71 -60.64 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.526 -0.306 . . . . 71.45 110.979 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.648 ' CD ' HG13 ' A' ' 125' ' ' VAL . 18.0 pt20 -62.93 -42.92 99.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 61.15 110.962 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.431 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -58.52 -32.6 68.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.025 -0.534 . . . . 65.33 111.175 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -34.93 68.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.915 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.59 -43.87 93.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 62.04 110.867 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.547 HD22 ' O ' ' A' ' 133' ' ' LEU . 1.1 tm? -66.05 -51.53 57.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 72.24 111.044 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.815 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -64.25 -43.76 93.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 70.4 111.125 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -57.89 -41.47 82.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 65.04 110.845 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.2 t -68.14 -29.59 68.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.768 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.415 ' CD2' ' HD3' ' A' ' 97' ' ' ARG . 4.0 m-30 -73.47 -24.01 60.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 75.52 111.103 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.98 14.77 62.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.675 -0.774 . . . . 72.53 112.647 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.822 HG21 ' HG3' ' A' ' 111' ' ' MET . 15.2 pt -113.51 155.26 45.05 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.692 0.282 . . . . 74.11 111.357 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.674 ' HG2' HG13 ' A' ' 112' ' ' VAL . 58.8 Cg_endo -72.05 150.13 53.82 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.544 2.162 . . . . 71.25 112.361 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -122.67 107.54 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.723 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.953 HD11 HG21 ' A' ' 158' ' ' THR . 3.0 mp -109.33 156.86 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 73.21 111.046 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.458 ' N ' HG22 ' A' ' 142' ' ' ILE . 37.5 mt-10 -119.85 130.42 54.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.813 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 151' ' ' GLY . 29.4 p -138.35 173.78 11.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 73.22 111.025 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.4 p -140.51 116.2 10.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 71.4 110.748 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.593 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.03 -23.69 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 61.35 111.29 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -82.72 -56.56 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.406 -0.361 . . . . 61.31 111.154 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.559 HG21 ' CG ' ' A' ' 119' ' ' ASP . 0.7 OUTLIER -81.15 -21.06 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 74.22 111.419 -179.71 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 66.13 69.5 0.44 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.875 0.369 . . . . 75.44 110.83 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.27 119.79 33.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 63.45 110.911 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.524 ' O ' HG22 ' A' ' 144' ' ' THR . . . 54.67 27.88 44.19 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.865 -0.683 . . . . 65.2 112.572 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.421 HG11 ' CG ' ' A' ' 22' ' ' GLN . 25.6 t -57.37 -55.46 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 70.4 111.166 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.437 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 14.0 mt-10 -67.27 -26.66 66.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 73.53 110.966 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -42.7 80.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 70.02 110.954 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.733 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -67.56 -40.79 84.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 63.24 111.015 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -66.02 -50.09 65.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 63.14 110.849 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.2 m-85 -55.45 -32.53 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 72.03 110.984 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.953 HG21 HD11 ' A' ' 142' ' ' ILE . 18.1 m -58.62 -37.89 76.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 70.25 110.919 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.431 ' CD2' HD22 ' A' ' 6' ' ' LEU . 28.5 tp -60.7 -41.59 95.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 64.31 110.881 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.673 HG21 ' CD1' ' A' ' 46' ' ' ILE . 25.5 t -56.88 -41.7 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 42.12 110.986 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -69.2 -33.93 74.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 64.34 110.698 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.19 -49.98 57.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 74.23 110.721 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.66 -49.34 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.141 -0.481 . . . . 54.51 111.165 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -47.87 -47.87 31.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.956 -0.565 . . . . 75.24 111.2 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -75.83 -30.43 58.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.375 . . . . 53.41 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.216 -0.897 . . . . 73.25 110.879 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.609 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.867 0.365 . . . . 63.44 111.3 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.92 149.77 30.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.739 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.55 123.17 47.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.864 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -111.33 160.82 16.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 61.24 111.064 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -127.79 94.95 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.924 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.544 HD12 HD13 ' A' ' 159' ' ' LEU . 3.8 mm? -81.25 109.87 16.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 64.54 110.92 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.402 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 14.0 t -93.74 102.19 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.31 111.262 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.401 HG12 ' HE3' ' A' ' 16' ' ' LYS . 29.3 t -96.8 121.29 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 65.44 111.067 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.7 m -98.17 174.29 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 71.31 111.129 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -106.7 -177.41 23.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.635 -0.793 . . . . 60.13 112.491 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.719 ' HB3' HG11 ' A' ' 14' ' ' VAL . . . -162.62 30.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 74.34 111.063 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.22 -86.61 0.59 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 72.12 112.59 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.46 78.0 0.3 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.681 -0.771 . . . . 52.44 112.629 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.719 HG11 ' HB3' ' A' ' 11' ' ' ALA . 32.6 m -142.96 -178.16 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 71.1 111.314 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -120.55 47.46 1.02 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 64.02 112.578 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HE3' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -67.42 -35.7 79.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.732 0.301 . . . . 70.11 110.754 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -71.1 -43.01 68.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 64.12 110.824 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.544 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -62.51 -43.82 97.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 70.52 111.235 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.831 HD23 HG13 ' A' ' 152' ' ' VAL . 8.5 mt -56.6 -33.57 66.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 73.21 111.041 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.785 HG23 HG21 ' A' ' 55' ' ' ILE . 75.6 m -74.4 -57.33 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 73.2 111.123 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.8 mm -53.26 -33.05 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.424 . . . . 65.02 111.349 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.41 -47.98 83.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 71.42 110.723 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.0 tp -76.78 -11.47 59.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 50.15 111.321 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.409 HG22 ' HG3' ' A' ' 25' ' ' GLN . 25.2 mm -99.74 -73.82 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 111.646 0.239 . . . . 72.44 111.646 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.409 ' HG3' HG22 ' A' ' 24' ' ' ILE . 4.4 mt-30 -103.07 9.15 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.891 0.33 . . . . 73.21 111.891 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 26' ' ' ASN . 1.9 p-10 . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.788 0.328 . . . . 61.21 111.561 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.855 0.36 . . . . 73.32 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -144.63 163.4 34.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.701 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -155.39 146.86 22.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.31 -0.404 . . . . 71.13 110.979 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -104.17 116.33 32.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.074 -0.512 . . . . 55.41 110.443 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.421 HG21 HD11 ' A' ' 53' ' ' LEU . 35.7 m -131.46 178.98 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.228 -0.442 . . . . 74.2 111.328 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.62 100.91 8.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 74.34 111.017 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.908 HG13 HG11 ' A' ' 160' ' ' VAL . 11.4 mm -78.16 98.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 71.34 111.017 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 t0 59.76 44.95 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.961 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.43 19.59 71.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.827 -0.701 . . . . 62.32 112.648 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -123.19 97.74 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 73.33 110.842 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.6 m -58.58 120.16 8.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 73.4 110.881 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.8 m -150.95 146.35 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.839 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.609 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -78.55 153.47 31.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 65.45 110.857 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD11 HG21 ' A' ' 44' ' ' VAL . 76.0 mt -133.75 86.85 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.5 110.644 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.16 96.94 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 74.05 111.052 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.785 HG21 HG23 ' A' ' 20' ' ' THR . 19.3 mm -80.59 108.23 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 45.44 110.907 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.537 HD21 ' CG2' ' A' ' 58' ' ' THR . 0.2 OUTLIER -93.16 119.63 32.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.716 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -107.36 100.05 9.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 71.52 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.537 ' CG2' HD21 ' A' ' 56' ' ' LEU . 11.7 p -81.26 -174.44 4.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 65.13 110.86 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 65.15 111.067 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 11.7 mmt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.762 0.315 . . . . 72.24 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -37.81 77.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 73.53 110.841 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -72.5 -24.65 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 62.33 110.767 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -78.16 -43.31 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 61.53 110.858 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -78.42 -48.45 15.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 74.34 111.058 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.789 ' HB2' HG11 ' A' ' 103' ' ' VAL . 8.4 mtt -55.07 -52.79 62.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.357 -0.383 . . . . 61.35 110.918 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.628 ' HG3' HG13 ' A' ' 103' ' ' VAL . 65.6 mtp180 -57.99 -22.61 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.35 111.253 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.7 p -102.23 -6.7 22.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.354 -0.384 . . . . 61.51 111.512 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.402 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -88.21 142.73 17.63 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.542 -0.837 . . . . 43.43 112.779 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -99.72 -6.8 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.592 0.234 . . . . 71.55 111.237 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.71 142.53 7.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.793 -0.717 . . . . 73.03 112.435 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -115.52 149.16 38.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 65.45 110.982 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.846 HD12 HD12 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -122.47 117.16 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 64.24 110.886 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.831 ' HB3' HD12 ' A' ' 93' ' ' ILE . 74.1 m -86.98 117.74 25.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 75.43 110.787 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -107.24 114.44 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.2 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.442 ' CE1' ' HA2' ' A' ' 115' ' ' GLY . 0.3 OUTLIER -132.32 141.28 48.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.533 179.546 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.507 ' HB1' ' CD ' ' A' ' 117' ' ' LYS . . . -92.71 125.54 37.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 64.25 111.182 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.899 HD12 ' HB3' ' A' ' 123' ' ' ARG . 8.1 pt -56.53 -31.7 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.12 110.943 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.7 -25.61 59.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 73.01 110.955 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -109.75 106.84 16.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.265 -0.425 . . . . 74.31 110.931 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.444 HG23 ' CG2' ' A' ' 125' ' ' VAL . 7.0 m -69.13 -27.52 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.23 110.936 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -55.0 -35.32 64.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 73.31 111.0 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -64.29 -51.31 64.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 62.54 110.771 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.422 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 31.3 t80 -55.69 -29.76 59.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 74.13 110.868 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -75.25 -36.81 61.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.44 110.934 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.21 -32.62 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.967 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.831 HD12 ' HB3' ' A' ' 80' ' ' CYS . 14.7 mm -61.23 -27.37 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.367 -0.378 . . . . 75.13 110.794 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -74.36 -55.5 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.32 110.728 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -66.79 -29.98 70.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.072 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 10' ' ' GLY . 1.8 m-85 -58.6 -42.69 88.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 73.15 110.891 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.834 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -59.71 -30.44 68.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 54.2 111.012 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -61.79 -27.18 68.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 73.3 111.23 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.14 -39.57 23.07 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.752 0.31 . . . . 65.22 110.833 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' A' ' 97' ' ' ARG . 15.2 mt -57.51 -41.17 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.357 -0.383 . . . . 53.43 111.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HE2' ' NE ' ' A' ' 97' ' ' ARG . 2.1 mptt -56.64 -41.69 77.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.446 -0.343 . . . . 63.03 110.868 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -60.27 -58.77 7.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 61.44 110.91 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 72' ' ' MET . 58.2 t -56.36 -64.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 72.24 111.171 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -58.99 -24.41 62.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 64.41 110.941 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 61.19 44.99 9.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 75.03 110.851 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 t -165.43 143.99 6.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 72.43 110.997 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.91 -52.26 8.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 60.35 110.898 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -80.44 84.74 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 65.44 110.933 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.4 m -116.26 154.05 48.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 43.34 111.127 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.43 107.28 2.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.557 2.171 . . . . 72.53 112.23 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.616 ' SD ' HD13 ' A' ' 100' ' ' ILE . 2.5 mtm -138.64 172.99 12.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 61.41 110.892 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.711 HG13 ' HG2' ' A' ' 140' ' ' PRO . 12.9 t -150.91 155.57 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 53.33 111.079 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.4 ' N ' HG12 ' A' ' 112' ' ' VAL . 3.2 tp -131.91 103.19 6.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 72.35 110.893 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 1.058 HG21 ' HB1' ' A' ' 155' ' ' ALA . 33.7 t -103.26 134.0 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 41.42 111.064 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.442 ' HA2' ' CE1' ' A' ' 82' ' ' PHE . . . -93.72 78.57 1.03 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 40.12 112.475 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.657 HD21 ' HB2' ' A' ' 146' ' ' ALA . 8.8 t30 -59.49 -179.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 74.14 110.849 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.507 ' CD ' ' HB1' ' A' ' 83' ' ' ALA . 5.7 mttt 61.15 57.78 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 72.34 110.906 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.44 -1.45 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 65.25 111.406 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.521 ' CG ' HG23 ' A' ' 148' ' ' THR . 34.7 t0 -77.78 -60.76 2.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.739 0.304 . . . . 74.34 110.679 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.71 ' H ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -51.41 160.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.05 111.2 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -109.52 45.18 1.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 64.32 111.053 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.41 76.65 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 61.15 111.113 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.899 ' HB3' HD12 ' A' ' 84' ' ' ILE . 2.5 ptp180 -91.13 137.17 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 61.53 110.849 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.0 p -105.0 -30.09 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 74.31 110.689 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.444 ' CG2' HG23 ' A' ' 87' ' ' THR . 91.7 t -115.07 100.98 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.008 -0.542 . . . . 74.14 110.926 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.61 155.32 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 74.22 110.919 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.3 p -55.13 -27.48 45.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 53.43 111.098 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -58.95 -48.3 82.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.56 -43.9 95.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.93 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.34 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 62.03 111.183 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.06 -31.28 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 53.32 110.888 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.94 -38.27 81.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 64.22 110.958 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.1 tp -79.82 -51.43 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 72.53 110.941 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.83 86.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 70.22 111.165 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -57.72 -40.74 80.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 72.42 110.819 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.1 t -76.55 -31.16 57.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 63.33 110.606 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.437 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 3.2 m-30 -71.15 -22.33 62.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 74.12 111.108 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.08 18.51 62.83 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.749 -0.739 . . . . 73.41 112.329 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 111' ' ' MET . 5.0 pt -113.52 157.35 41.62 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.693 0.283 . . . . 52.02 111.443 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.711 ' HG2' HG13 ' A' ' 112' ' ' VAL . 58.9 Cg_endo -72.67 156.58 53.33 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.527 2.151 . . . . 63.24 112.375 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -123.07 116.6 23.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 64.21 110.829 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 1.052 HD11 HG21 ' A' ' 158' ' ' THR . 2.7 mp -119.64 154.32 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 61.25 110.999 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.4 ' N ' HG22 ' A' ' 142' ' ' ILE . 2.2 mt-10 -122.57 128.97 51.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 71.4 110.861 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 21.9 p -147.86 177.41 9.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 53.41 111.07 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.73 118.39 11.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 74.11 110.761 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.657 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -63.42 -18.97 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 33.43 111.496 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.06 -58.87 2.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.718 0.294 . . . . 75.22 111.197 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.521 HG23 ' CG ' ' A' ' 119' ' ' ASP . 24.7 p -90.98 12.62 19.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 74.21 111.621 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 148' ' ' THR . 1.5 ptp85 28.75 64.9 0.11 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.67 0.388 . . . . 73.41 112.0 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -108.1 101.0 10.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 72.52 110.984 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.27 16.29 72.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.713 -0.756 . . . . 75.12 112.868 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.831 HG13 HD23 ' A' ' 19' ' ' LEU . 91.4 t -58.48 -56.01 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 120.845 0.355 . . . . 75.11 111.097 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 22.8 mt-10 -54.33 -27.44 35.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.886 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.02 -49.86 63.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 74.42 110.912 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 1.058 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -55.58 -41.32 73.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.216 -0.447 . . . . 71.13 111.165 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -68.15 -50.87 51.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 73.3 110.872 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 153' ' ' GLU . 17.0 m-85 -56.84 -31.14 64.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 71.32 110.848 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' THR . . . . . 1.052 HG21 HD11 ' A' ' 142' ' ' ILE . 16.4 m -58.27 -39.63 79.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 63.53 110.949 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.846 HD12 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -62.67 -43.04 99.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 75.25 110.765 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.908 HG11 HG13 ' A' ' 46' ' ' ILE . 11.8 t -58.0 -34.81 49.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.272 -0.422 . . . . 71.24 110.982 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -72.07 -37.58 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 75.2 110.733 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.32 -44.17 65.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 71.24 110.847 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.602 HD11 HD22 ' A' ' 159' ' ' LEU . 53.2 mt -59.94 -47.39 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 116.094 -0.503 . . . . 64.05 111.124 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -54.21 -34.65 61.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 72.0 111.116 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -55.28 -33.81 63.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.364 -0.38 . . . . 65.34 111.057 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.168 -0.92 . . . . 70.51 110.919 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.763 0.316 . . . . 65.25 111.18 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.537 HG22 ' HB3' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -88.03 149.67 23.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 55.11 110.892 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -107.0 109.25 21.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 72.24 110.857 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.418 ' CE2' HG21 ' A' ' 2' ' ' THR . 26.4 m-85 -99.15 134.95 41.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.942 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -109.05 99.61 8.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 75.25 110.781 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.933 HD12 ' CD1' ' A' ' 55' ' ' ILE . 17.1 mt -97.78 127.16 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.26 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.453 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 87.2 t -109.91 102.12 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.035 -0.53 . . . . 73.04 110.721 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.83 149.63 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 72.25 111.318 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -144.99 177.24 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 50.52 110.985 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.52 -172.72 22.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.578 -0.82 . . . . 62.52 112.536 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.507 ' HB2' ' OD2' ' A' ' 92' ' ' ASP . . . -74.36 157.51 35.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 75.42 111.075 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.49 -24.42 17.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.848 -0.691 . . . . 44.31 112.739 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.17 83.66 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 53.24 112.682 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 16' ' ' LYS . 35.0 m -139.27 15.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.677 0.275 . . . . 61.5 111.593 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 48.95 30.7 9.58 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.912 -0.661 . . . . 71.54 112.889 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HB3' HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -70.42 -44.21 68.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 74.32 110.822 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.485 ' O ' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -68.32 -22.44 64.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 70.34 111.022 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.21 -21.67 56.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 65.33 111.501 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.61 ' CD2' HG12 ' A' ' 152' ' ' VAL . 0.7 OUTLIER -78.75 -29.45 45.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.493 -0.321 . . . . 71.1 111.258 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 17' ' ' SER . 0.9 OUTLIER -72.59 -29.07 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.491 -0.322 . . . . 63.1 110.82 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -70.03 -41.04 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.399 -0.364 . . . . 72.14 110.381 179.624 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -58.0 -48.62 79.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 63.2 110.598 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.54 -56.75 15.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 64.24 110.406 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.408 HD13 ' HG2' ' A' ' 42' ' ' LYS . 15.5 mm -53.56 -62.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 74.31 110.87 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.4 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 9.4 pt20 -116.15 -112.34 0.34 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.956 -0.565 . . . . 72.43 110.589 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 3.1 m-20 . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.936 0.398 . . . . 71.22 110.575 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.839 0.352 . . . . 73.21 111.114 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -127.19 137.31 52.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 64.31 110.71 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.408 ' HG2' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -126.41 142.02 51.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 61.4 111.0 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -107.82 118.21 36.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 74.14 110.646 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.419 HG21 ' HE1' ' A' ' 157' ' ' TYR . 34.4 m -141.82 -178.44 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 73.51 111.278 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.0 t -122.93 100.75 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 75.42 111.033 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.63 HG13 HG11 ' A' ' 160' ' ' VAL . 5.6 mm -83.75 102.78 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 61.11 110.879 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t0 63.16 51.83 2.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 62.32 110.997 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.11 24.6 70.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 52.32 112.634 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -131.98 103.73 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 71.44 110.858 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.2 m -59.25 120.54 9.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 71.21 110.793 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.537 ' HB3' HG22 ' A' ' 2' ' ' THR . 66.8 m -142.36 146.87 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.12 110.942 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.496 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -84.81 143.37 29.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 73.22 110.923 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.1 mt -119.68 97.24 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 63.24 110.943 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.53 95.2 9.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 63.02 110.797 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.933 ' CD1' HD12 ' A' ' 6' ' ' LEU . 8.6 mm -88.86 111.86 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 63.25 111.173 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 56' ' ' LEU . 2.6 tt -105.97 114.95 29.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 61.41 110.74 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -106.41 101.43 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.35 110.771 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.626 ' CG2' HD21 ' A' ' 56' ' ' LEU . 10.3 p -75.51 -173.77 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 63.23 110.877 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 55.33 111.166 -179.913 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.766 0.317 . . . . 72.31 110.838 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -37.99 79.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 74.15 110.699 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.488 ' OD1' HG23 ' A' ' 103' ' ' VAL . 11.7 t70 -70.0 -28.28 65.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 74.51 110.348 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -76.02 -45.33 34.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.978 -0.555 . . . . 61.22 111.104 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -75.54 -48.98 20.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 63.3 111.064 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.538 ' HE1' ' HG3' ' A' ' 99' ' ' GLN . 8.6 mtt -54.39 -53.29 56.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.999 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.4 -21.76 51.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 74.21 111.184 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.8 p -102.76 -3.66 26.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.378 . . . . 62.22 111.585 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.23 129.04 9.54 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.547 -0.835 . . . . 23.22 112.688 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.449 ' CB ' HD13 ' A' ' 163' ' ' ILE . 5.2 mm-40 -67.67 -26.73 66.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.723 0.297 . . . . 71.14 110.847 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.711 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -152.22 -173.96 22.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.821 -0.704 . . . . 65.01 112.341 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.513 ' CE2' HG23 ' A' ' 100' ' ' ILE . 84.0 m-85 -146.44 134.83 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 74.43 111.123 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.04 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -116.95 122.3 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 64.43 110.642 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.84 ' HB3' HD12 ' A' ' 93' ' ' ILE . 61.4 m -97.04 109.04 21.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.984 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.4 t -102.41 110.27 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 72.52 111.006 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.802 ' CD1' HD11 ' A' ' 113' ' ' LEU . 10.8 p90 -123.03 141.3 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 71.24 110.71 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.2 123.63 31.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 61.22 110.927 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.828 HD12 ' HB2' ' A' ' 123' ' ' ARG . 19.5 pt -58.91 -29.49 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 35.51 111.151 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.593 ' ND2' ' HB1' ' A' ' 122' ' ' ALA . 25.7 t-20 -71.35 -29.27 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.524 . . . . 63.43 110.855 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -100.03 117.41 34.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.85 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -71.09 -38.76 72.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 55.24 110.829 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.14 -36.54 77.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 70.35 110.886 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.0 t -59.14 -31.99 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 43.11 110.799 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -74.02 -30.31 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 75.31 110.746 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.88 -29.95 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.977 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.507 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 6.1 m-20 -70.02 -32.46 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 74.44 110.885 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.84 HD12 ' HB3' ' A' ' 80' ' ' CYS . 27.5 mm -61.31 -27.48 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 64.03 110.845 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -75.45 -55.3 5.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 64.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -30.82 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 71.2 111.023 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.4 m-85 -62.21 -47.2 85.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 72.22 110.846 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.404 ' NE ' ' HE2' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -57.86 -43.26 85.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 74.22 111.032 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.16 -28.43 64.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.253 -0.431 . . . . 72.52 111.203 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.538 ' HG3' ' HE1' ' A' ' 72' ' ' MET . 0.3 OUTLIER -76.19 -41.74 48.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.464 -0.335 . . . . 72.51 110.885 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.513 HG23 ' CE2' ' A' ' 78' ' ' PHE . 80.8 mt -56.94 -56.96 11.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 73.23 110.884 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HE2' ' NE ' ' A' ' 97' ' ' ARG . 0.2 OUTLIER -58.87 -26.5 64.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.01 110.78 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -57.14 4.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 75.53 110.99 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.488 HG23 ' OD1' ' A' ' 69' ' ' ASP . 12.3 p -68.93 -36.28 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.42 -0.354 . . . . 75.14 111.135 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.87 -20.69 57.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 70.43 111.09 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.03 35.98 12.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.871 0.367 . . . . 73.3 110.683 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.4 p -138.47 -176.56 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 72.31 110.862 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.68 -71.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 70.54 110.778 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.65 82.38 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 64.42 110.765 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.2 m -98.42 152.9 38.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 52.43 111.315 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.413 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 57.6 Cg_endo -70.69 108.02 2.16 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.695 2.263 . . . . 72.35 112.352 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.696 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.9 ptp -154.29 167.94 28.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 70.34 110.898 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.8 t -143.78 152.04 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.186 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.802 HD11 ' CD1' ' A' ' 82' ' ' PHE . 9.4 tp -115.06 111.51 21.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 63.24 110.746 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.662 HG21 HD21 ' A' ' 79' ' ' LEU . 21.3 t -103.02 150.18 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 72.54 111.199 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.41 78.89 0.24 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 72.22 112.508 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -59.31 159.55 7.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.314 . . . . 72.02 110.469 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.58 48.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 72.15 110.765 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.3 t -110.0 36.19 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 70.55 110.988 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.571 ' HB2' HG21 ' A' ' 148' ' ' THR . 5.8 p-10 -119.94 -46.2 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.42 . . . . 62.05 110.967 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -72.85 161.25 30.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.3 110.861 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -90.91 57.12 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 72.31 111.075 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.593 ' HB1' ' ND2' ' A' ' 85' ' ' ASN . . . -141.84 69.52 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.32 111.055 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.828 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -101.17 110.2 22.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 64.53 110.79 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.3 p -84.31 -49.63 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.12 110.614 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 30.0 t -88.08 107.61 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.03 -0.532 . . . . 74.32 110.817 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -54.58 160.65 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 63.4 111.119 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.9 m -60.69 -41.5 95.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 71.22 111.059 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -54.39 -46.65 73.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 72.12 110.963 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -60.29 -41.18 92.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.916 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.55 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 63.53 111.088 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -36.44 73.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.892 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -57.22 -47.7 80.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.969 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.547 HD13 ' C ' ' A' ' 133' ' ' LEU . 1.0 OUTLIER -66.83 -51.55 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.959 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.532 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -58.15 -43.72 87.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 74.53 111.257 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -61.04 -40.6 94.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 73.22 110.935 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.7 t -66.34 -25.65 66.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 65.02 110.984 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.474 ' CZ ' HD21 ' A' ' 133' ' ' LEU . 6.0 m-30 -84.58 -24.02 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 71.34 111.222 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.79 15.53 63.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.732 . . . . 75.24 112.589 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.696 HG21 ' HG3' ' A' ' 111' ' ' MET . 13.4 pt -110.76 153.45 43.67 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 51.13 111.312 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.59 154.28 68.61 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.561 2.174 . . . . 65.12 112.253 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -124.59 117.77 25.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 74.44 110.761 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.807 HD11 HG21 ' A' ' 158' ' ' THR . 2.5 mp -119.43 147.63 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 70.43 111.102 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -107.69 137.97 44.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 64.41 110.854 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 20.5 p -152.39 179.6 8.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 70.4 111.327 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.07 119.13 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.784 -0.644 . . . . 74.44 110.263 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.6 -40.82 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 44.25 111.497 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -64.12 -66.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.389 -0.369 . . . . 65.33 111.185 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.571 HG21 ' HB2' ' A' ' 119' ' ' ASP . 26.9 p -70.38 -23.52 62.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.384 . . . . 70.13 111.443 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 66.31 67.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 71.32 110.672 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -116.52 125.1 51.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 64.52 111.096 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 54.33 25.83 34.84 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.89 -0.672 . . . . 73.23 112.727 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.61 HG12 ' CD2' ' A' ' 19' ' ' LEU . 31.4 m -61.75 -38.38 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 74.4 111.194 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.7 mt-10 -73.81 -33.3 64.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.22 110.93 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -46.56 88.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.93 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.63 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -66.49 -41.7 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 61.33 111.187 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 19.5 m-85 -65.18 -49.68 68.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 74.04 111.111 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.1 m-85 -55.09 -34.34 63.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 74.22 111.107 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.807 HG21 HD11 ' A' ' 142' ' ' ILE . 2.3 m -53.6 -39.0 64.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.332 -0.395 . . . . 45.34 111.161 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 1.04 HD23 HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -59.96 -43.06 95.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.13 111.024 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.63 HG11 HG13 ' A' ' 46' ' ' ILE . 3.8 t -62.0 -45.19 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 75.33 111.017 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -62.31 -43.99 97.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 55.02 111.023 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -58.44 -41.69 85.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 72.21 110.907 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.449 HD13 ' CB ' ' A' ' 76' ' ' GLU . 92.2 mt -69.58 -47.23 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 65.32 111.112 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -49.56 74.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 62.05 111.018 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -20.63 61.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 70.52 111.186 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.194 -0.908 . . . . 74.23 110.82 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.468 ' CG ' HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.949 0.404 . . . . 74.04 111.288 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.41 145.02 19.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.928 -0.578 . . . . 74.33 110.859 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -109.47 126.6 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 73.13 110.78 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.591 ' HB2' HD23 ' A' ' 53' ' ' LEU . 13.0 m-85 -101.72 109.46 21.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 74.21 111.09 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -82.99 95.77 8.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.786 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.657 HD22 ' HG ' ' A' ' 159' ' ' LEU . 41.5 mt -97.34 111.0 23.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 63.44 111.067 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.512 HG23 ' HA3' ' A' ' 75' ' ' GLY . 60.7 t -85.48 105.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 63.54 111.07 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.9 t -88.43 138.97 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 64.42 111.0 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.517 ' O ' HG12 ' A' ' 81' ' ' VAL . 23.6 m -141.17 149.54 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 74.42 111.062 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.58 -161.36 12.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.637 -0.792 . . . . 52.31 112.558 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.616 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . -98.87 29.44 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 64.51 111.12 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.8 -64.19 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 64.45 112.496 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.81 44.65 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.717 . . . . 73.22 112.534 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.616 HG13 ' HB3' ' A' ' 11' ' ' ALA . 12.2 m -112.34 -30.2 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.695 0.283 . . . . 54.45 111.289 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.98 28.75 3.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 71.33 112.452 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -60.33 -49.53 77.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.675 0.274 . . . . 72.44 111.058 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -71.52 -29.52 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 23.11 110.82 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.7 -50.03 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 64.55 111.096 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.4 mt -57.45 -31.94 66.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 64.34 110.937 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.41 HG23 HG21 ' A' ' 55' ' ' ILE . 24.6 m -63.57 -58.29 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 61.53 110.995 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 mm -54.76 -29.67 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 73.31 111.171 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.474 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 3.1 mm-40 -65.6 -49.88 67.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 53.12 110.69 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.44 -6.59 52.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 74.43 111.36 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 42' ' ' LYS . 24.7 mm -101.99 -74.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.836 0.351 . . . . 73.32 111.054 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -92.78 -22.51 19.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 73.15 111.26 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 22' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.407 -0.36 . . . . 72.44 110.944 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 72.41 110.839 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -125.81 133.79 51.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 73.54 110.873 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.45 ' HB2' HD13 ' A' ' 24' ' ' ILE . 6.7 tptp -134.46 132.25 39.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 61.42 110.966 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -94.59 121.5 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 60.4 110.84 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 m -143.94 -176.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.309 -0.405 . . . . 65.33 111.303 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 45' ' ' VAL . 10.8 p -124.23 121.73 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.33 111.083 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.464 HG13 HG21 ' A' ' 160' ' ' VAL . 11.0 mm -103.21 106.54 20.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 74.25 111.173 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t70 59.56 37.87 22.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 75.13 110.817 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.79 20.68 63.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.892 -0.671 . . . . 62.21 112.548 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -126.0 101.17 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 74.04 110.783 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -60.73 126.08 26.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 71.01 111.046 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 m -157.77 150.86 23.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 74.21 110.776 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 1' ' ' MET . 1.4 tp -78.58 152.14 32.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 75.43 110.769 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.591 HD23 ' HB2' ' A' ' 4' ' ' TYR . 30.6 mt -124.85 88.15 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 65.21 110.927 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.68 98.0 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 53.52 110.82 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.504 ' CD1' HD12 ' A' ' 6' ' ' LEU . 24.3 mm -88.9 108.38 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 70.51 111.071 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.619 HD21 HG22 ' A' ' 58' ' ' THR . 2.6 tt -100.77 125.06 47.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 55.41 110.788 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -115.36 103.55 10.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 73.43 110.72 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.619 HG22 HD21 ' A' ' 56' ' ' LEU . 6.1 p -75.49 169.61 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 72.11 110.821 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 52.32 111.159 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 74.34 111.011 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -59.13 -37.25 76.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 63.35 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -71.54 -29.24 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.738 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -67.06 -41.18 86.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 74.24 110.767 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -69.88 -34.08 73.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 73.2 111.2 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.63 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.8 mtt -62.72 -48.55 78.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 73.2 111.054 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 68.7 mtp180 -70.13 -19.42 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.44 111.372 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 p -102.62 -5.81 23.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.579 -0.282 . . . . 74.5 111.29 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.512 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -100.35 117.95 6.03 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.625 -0.798 . . . . 61.04 112.64 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.36 -27.48 69.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.718 0.294 . . . . 55.4 110.886 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.614 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -147.92 169.78 28.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 73.1 112.36 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.582 ' CE1' HG23 ' A' ' 100' ' ' ILE . 74.7 m-85 -131.44 145.27 51.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 74.44 110.923 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -118.35 121.33 40.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 73.21 110.902 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.487 ' O ' HD12 ' A' ' 113' ' ' LEU . 42.6 m -96.54 100.01 11.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 53.5 110.827 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 9' ' ' VAL . 6.3 p -106.9 135.78 44.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 71.2 111.124 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -149.55 167.52 26.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 74.24 110.887 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.432 ' HB1' ' CD ' ' A' ' 117' ' ' LYS . . . -107.26 124.35 49.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 73.45 111.104 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.792 HD12 ' HB2' ' A' ' 123' ' ' ARG . 16.1 pt -61.91 -31.61 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 71.22 110.945 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -66.04 -29.33 69.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 74.14 110.941 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -108.04 107.44 18.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 72.34 110.887 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.8 m -63.04 -24.32 67.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 73.33 111.021 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -40.61 96.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.428 -0.351 . . . . 73.23 110.733 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.514 ' HA ' ' HB2' ' A' ' 11' ' ' ALA . 95.6 p -59.62 -49.87 76.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 61.2 110.697 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -58.15 -30.55 66.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 73.4 110.586 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.95 -29.28 39.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 72.24 110.875 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.45 ' HA ' ' NE2' ' A' ' 95' ' ' GLN . 91.6 m-20 -76.31 -45.72 31.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 74.24 110.976 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.454 ' HA ' HD13 ' A' ' 93' ' ' ILE . 2.5 mm -53.08 -27.06 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 120.957 0.408 . . . . 72.43 110.623 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -52.88 55.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 75.44 110.709 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.533 ' HG2' ' N ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -68.65 -29.91 68.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 74.52 110.818 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.533 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 12.0 m-85 -63.48 -42.14 98.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 72.14 110.715 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.447 ' HG2' ' HE1' ' A' ' 111' ' ' MET . 0.2 OUTLIER -63.73 -31.49 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.688 179.679 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.28 -37.98 89.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.047 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -39.15 82.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 74.31 110.92 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.582 HG23 ' CE1' ' A' ' 78' ' ' PHE . 72.3 mt -60.35 -42.4 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 62.45 111.091 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -35.96 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 75.32 111.085 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -58.98 3.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 73.24 111.116 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.63 HG11 ' HB2' ' A' ' 72' ' ' MET . 57.8 t -59.1 -59.98 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 74.44 111.116 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -60.42 -25.12 65.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.862 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.1 t0 62.03 41.49 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 73.21 110.737 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -158.49 128.31 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 72.04 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.58 -24.79 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 40.1 111.137 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -110.61 95.67 5.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 75.14 111.176 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.532 HG21 ' CG2' ' A' ' 100' ' ' ILE . 29.8 m -121.85 153.44 60.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 72.41 110.869 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.63 102.5 1.17 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.533 2.156 . . . . 70.43 112.36 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.792 ' HG3' HG21 ' A' ' 139' ' ' ILE . 10.5 ptp -148.2 174.04 12.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 63.44 110.815 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.584 HG13 ' HG2' ' A' ' 140' ' ' PRO . 14.8 t -146.88 156.07 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 61.22 111.262 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 80' ' ' CYS . 3.4 tp -117.61 109.03 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 64.04 110.881 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.656 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 32.9 t -103.9 144.6 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 70.14 111.142 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.17 83.11 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 72.3 112.505 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -60.02 170.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 72.52 110.918 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.432 ' CD ' ' HB1' ' A' ' 83' ' ' ALA . 9.1 mttt 59.65 63.37 1.52 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 52.44 110.882 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 16.4 t -104.5 -35.97 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 72.55 110.992 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.521 ' CG ' HG21 ' A' ' 148' ' ' THR . 28.4 t70 -68.98 -23.61 64.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 74.34 111.153 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 40.8 mt -53.65 -179.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.503 -0.317 . . . . 73.0 111.025 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -131.11 28.36 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.376 . . . . 44.12 111.323 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.26 66.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.339 -0.391 . . . . 74.31 111.148 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.792 ' HB2' HD12 ' A' ' 84' ' ' ILE . 10.4 ptt180 -92.16 134.05 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.34 111.052 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.6 p -103.53 -32.64 9.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 71.05 110.639 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.9 t -101.19 95.88 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.928 -0.578 . . . . 75.1 110.781 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.58 158.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 64.44 111.169 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.3 t -54.8 -48.72 72.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 65.14 111.466 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -34.61 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 73.33 111.157 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -67.14 -32.15 73.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 62.11 110.801 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.06 -30.03 39.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 75.05 111.2 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.98 -30.78 62.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 63.44 110.983 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.14 -43.55 92.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 70.13 111.017 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.64 -48.39 48.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 64.11 110.809 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.469 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -61.28 -45.6 93.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 45.04 111.073 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -55.68 -42.45 75.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.91 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.8 t -72.17 -31.21 65.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 54.13 110.623 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -73.04 -23.7 60.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 72.11 111.021 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.99 16.13 63.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.67 -0.776 . . . . 75.22 112.614 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.792 HG21 ' HG3' ' A' ' 111' ' ' MET . 3.2 pt -119.56 157.32 52.14 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 120.723 0.297 . . . . 73.15 111.341 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.584 ' HG2' HG13 ' A' ' 112' ' ' VAL . 50.3 Cg_endo -69.3 167.3 24.25 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.499 2.132 . . . . 74.33 112.2 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -134.28 117.05 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.573 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.619 HD13 ' HA ' ' A' ' 155' ' ' ALA . 1.8 mp -117.4 137.81 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 71.52 111.329 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -103.98 131.87 50.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 71.11 110.511 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 22.0 p -148.31 173.44 13.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.947 0.403 . . . . 72.35 111.436 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.83 135.32 34.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.878 -0.601 . . . . 44.13 110.791 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.05 -11.28 59.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 73.02 111.825 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -93.89 -48.54 6.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.358 . . . . 71.34 111.047 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.521 HG21 ' CG ' ' A' ' 119' ' ' ASP . 20.5 p -95.11 0.83 54.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 63.45 111.616 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.469 ' HA ' HG21 ' A' ' 152' ' ' VAL . 10.3 ptm180 42.71 54.38 4.6 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.896 0.379 . . . . 65.31 111.523 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.94 121.15 41.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 73.53 111.19 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 63.42 13.97 52.29 Favored Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.843 -0.694 . . . . 53.04 113.173 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.469 HG21 ' HA ' ' A' ' 149' ' ' ARG . 85.1 t -57.53 -54.83 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 116.963 0.382 . . . . 75.13 110.906 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.416 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 1.7 mt-10 -61.16 -33.03 72.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 71.05 110.492 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -30.1 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 70.2 110.831 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.656 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -72.32 -50.42 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 63.35 111.201 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -63.63 -47.52 81.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 73.35 111.152 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.445 ' HA ' ' CG1' ' A' ' 160' ' ' VAL . 14.0 m-85 -52.16 -27.25 13.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.575 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.609 HG21 HD11 ' A' ' 142' ' ' ILE . 18.5 m -68.34 -37.85 80.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.351 . . . . 71.21 111.155 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.657 ' HG ' HD22 ' A' ' 6' ' ' LEU . 17.2 tp -68.14 -51.6 44.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 74.03 110.708 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.501 HG23 ' CE2' ' A' ' 4' ' ' TYR . 2.2 p -64.64 -34.47 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.177 -0.465 . . . . 65.24 111.079 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -69.41 -34.06 73.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.902 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.6 -35.95 60.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 72.41 111.047 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 160' ' ' VAL . 36.2 mt -64.7 -33.13 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 73.11 111.282 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -53.18 -46.77 69.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 75.53 111.046 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -65.11 -35.63 81.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 74.01 110.9 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.322 -0.847 . . . . 73.03 110.974 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.485 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.806 0.336 . . . . 74.12 111.185 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.42 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -95.89 149.77 21.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 64.12 110.758 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -101.87 128.25 48.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 73.31 110.747 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.42 ' CE2' ' CG2' ' A' ' 2' ' ' THR . 36.0 m-85 -119.51 104.73 10.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 64.43 111.032 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 95.86 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.55 110.618 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.774 HD12 ' CD1' ' A' ' 55' ' ' ILE . 26.5 mt -93.67 113.48 25.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 64.3 111.155 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.515 HG23 ' HA3' ' A' ' 75' ' ' GLY . 65.3 t -94.75 116.95 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.42 111.008 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.1 t -91.18 139.7 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.53 111.08 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.679 HG12 HH22 ' A' ' 68' ' ' ARG . 18.5 m -142.46 160.97 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 62.44 111.052 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.82 -100.07 0.13 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.704 -0.76 . . . . 52.44 112.589 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.11 91.92 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 73.2 111.052 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.14 -80.13 0.2 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 53.2 112.338 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.408 ' C ' HG22 ' A' ' 14' ' ' VAL . . . -114.97 -78.98 0.81 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.833 -0.699 . . . . 50.11 112.484 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.849 HG11 ' OG ' ' A' ' 89' ' ' SER . 15.7 m 40.79 31.59 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 112.003 0.372 . . . . 70.05 112.003 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.2 32.92 29.76 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.872 -0.68 . . . . 74.12 112.706 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -68.31 -38.76 81.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 75.21 111.024 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.0 p -81.12 -36.27 30.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 34.1 111.044 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -52.94 -50.43 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 71.25 111.351 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.607 HD12 HG11 ' A' ' 81' ' ' VAL . 94.3 mt -56.82 -30.98 64.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.351 -0.386 . . . . 74.42 110.978 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.4 m -72.06 -43.03 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 62.24 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.6 mm -67.67 -42.69 86.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 73.15 111.138 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.408 ' HB3' HG11 ' A' ' 152' ' ' VAL . 1.3 tp-100 -59.02 -41.31 87.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 52.15 110.843 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.513 HD22 ' CD2' ' A' ' 156' ' ' PHE . 37.8 tp -76.77 -10.33 59.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 75.34 111.334 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 mm -111.64 -74.08 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.694 0.283 . . . . 64.45 111.508 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -82.36 -19.74 38.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.405 -0.361 . . . . 75.33 111.603 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.6 m120 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.871 0.367 . . . . 72.35 110.913 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.842 0.353 . . . . 74.23 110.93 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -134.39 159.68 40.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 61.43 110.846 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -155.88 147.04 22.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.14 110.937 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -111.28 120.14 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 70.34 110.826 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 m -139.41 -178.88 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.35 111.075 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -124.29 100.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 64.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.643 ' CD1' HG21 ' A' ' 160' ' ' VAL . 18.6 mt -115.37 128.17 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 72.31 110.941 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 68.31 31.89 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.915 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.21 31.22 78.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 40.34 112.631 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.52 112.42 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 73.11 110.835 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -62.3 125.09 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 44.22 110.801 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.5 m -146.63 151.17 36.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 72.04 110.892 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -85.14 145.17 27.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 64.55 110.825 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.6 95.66 5.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 62.11 110.942 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.98 94.96 10.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.885 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.774 ' CD1' HD12 ' A' ' 6' ' ' LEU . 22.0 mm -91.35 108.39 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 73.21 111.101 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.518 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -105.17 119.61 39.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 52.21 110.717 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.45 105.0 16.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 65.23 110.848 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.518 HG22 HD21 ' A' ' 56' ' ' LEU . 7.9 p -79.03 -173.91 3.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 73.51 110.839 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 121.099 0.476 . . . . 54.32 111.376 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.79 0.329 . . . . 72.55 110.965 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.679 HH22 HG12 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -61.62 -34.54 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.998 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -73.0 -30.24 63.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 62.0 110.763 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.621 ' O ' HG23 ' A' ' 74' ' ' THR . 0.0 OUTLIER -72.55 -54.94 7.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 70.11 110.897 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -63.7 -37.68 88.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 74.44 111.034 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.557 ' HB3' HG11 ' A' ' 103' ' ' VAL . 11.4 mtt -69.09 -38.82 79.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.14 110.982 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.495 ' HG3' HG13 ' A' ' 103' ' ' VAL . 60.8 mtp180 -72.67 -13.7 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.43 111.325 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 70' ' ' GLN . 73.9 p -101.84 -15.99 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.544 -0.298 . . . . 63.32 111.375 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.515 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -84.11 124.83 6.82 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.631 -0.795 . . . . 61.11 112.741 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.51 -19.21 59.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.687 0.279 . . . . 65.35 110.958 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.456 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -147.63 150.41 22.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.858 -0.687 . . . . 64.42 112.269 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.517 ' CE2' HG23 ' A' ' 100' ' ' ILE . 29.1 m-85 -118.91 135.16 54.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 64.24 111.095 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.91 120.23 37.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.857 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.656 ' HB3' HD12 ' A' ' 93' ' ' ILE . 3.9 m -96.84 103.76 15.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.93 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.607 HG11 HD12 ' A' ' 19' ' ' LEU . 46.8 t -101.94 108.29 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 71.14 111.189 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.22 153.42 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.714 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' HB2' ' HE3' ' A' ' 117' ' ' LYS . . . -95.41 123.67 39.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.235 -0.439 . . . . 63.02 110.996 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.681 HD12 ' HB3' ' A' ' 123' ' ' ARG . 2.4 pt -60.59 -21.61 23.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 71.4 111.261 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -85.44 -24.76 27.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 71.25 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.82 99.02 8.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 71.11 110.902 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.46 HG23 HG22 ' A' ' 125' ' ' VAL . 7.9 m -62.96 -26.76 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 70.12 110.92 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -54.45 -43.55 71.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 72.35 111.012 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.849 ' OG ' HG11 ' A' ' 14' ' ' VAL . 3.7 t -55.38 -46.6 76.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 75.31 111.001 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.15 -27.03 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 72.24 111.143 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.66 -40.91 63.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 72.43 110.931 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.22 -33.59 59.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 61.43 111.023 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' A' ' 80' ' ' CYS . 25.8 mm -50.57 -40.43 19.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.394 -0.366 . . . . 55.43 110.811 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -76.62 -40.52 49.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 64.33 110.363 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -51.2 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 73.41 110.893 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -59.58 -32.28 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 54.35 111.004 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -44.85 93.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 73.33 110.967 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.0 -35.19 68.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 65.34 111.008 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.746 ' O ' HG23 ' A' ' 103' ' ' VAL . 37.8 mt-30 -71.94 -36.53 69.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 63.41 110.767 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.64 ' CG2' HG21 ' A' ' 109' ' ' VAL . 88.0 mt -58.88 -46.06 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 73.54 111.14 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -44.56 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 65.5 110.94 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -68.38 -40.46 81.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 63.23 111.428 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 99' ' ' GLN . 59.5 t -50.9 -49.88 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 43.12 111.418 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HG3' ' CG1' ' A' ' 109' ' ' VAL . 0.0 OUTLIER -105.89 7.2 32.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.443 -0.344 . . . . 61.41 111.416 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t70 46.94 63.87 1.77 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.818 0.342 . . . . 73.23 111.281 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.75 146.09 0.43 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 34.43 110.842 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -77.53 -51.64 10.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 62.43 110.916 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -77.63 79.63 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.41 111.02 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.64 HG21 ' CG2' ' A' ' 100' ' ' ILE . 9.1 m -107.54 149.76 39.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 74.34 111.029 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.406 ' HB2' HG12 ' A' ' 163' ' ' ILE . 47.3 Cg_endo -68.59 108.97 1.96 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.563 2.176 . . . . 73.21 112.14 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.535 ' HG3' HG21 ' A' ' 139' ' ' ILE . 9.8 ptp -156.71 173.56 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 72.22 110.994 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.586 HG13 ' HG2' ' A' ' 140' ' ' PRO . 9.6 t -147.82 156.91 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 73.33 111.055 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 134' ' ' ALA . 6.9 tp -121.4 102.92 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 54.24 110.798 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.766 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 18.1 t -96.99 152.73 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 51.55 111.125 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.79 90.62 0.47 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.729 . . . . 63.22 112.425 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -68.91 173.58 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 73.31 110.837 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' ' 83' ' ' ALA . 19.4 mttt 62.35 69.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.915 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.6 t -109.14 -25.11 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 52.55 111.14 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -53.72 -66.94 0.3 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.41 -0.359 . . . . 75.24 110.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.708 ' H ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -50.0 173.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 73.55 111.272 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.27 40.86 3.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 65.12 111.184 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -121.77 61.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 72.42 111.057 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.681 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -83.22 98.64 9.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.108 -0.496 . . . . 72.01 111.164 -179.786 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.5 p -69.71 -28.12 65.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.661 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.46 HG22 HG23 ' A' ' 87' ' ' THR . 94.6 t -105.56 110.89 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 116.151 -0.477 . . . . 73.25 110.832 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.91 160.69 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 63.43 110.977 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.2 p -66.44 -33.19 75.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.754 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -57.92 -45.4 86.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.13 110.766 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -65.68 -42.35 91.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 64.33 110.809 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.05 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 51.23 110.994 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.86 -36.29 81.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 73.23 110.871 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.68 -36.8 77.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.42 110.782 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.403 HD11 ' OH ' ' A' ' 137' ' ' TYR . 24.2 tp -76.3 -51.19 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 74.42 110.771 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.518 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -61.43 -42.99 99.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 60.45 111.076 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -62.28 -27.67 69.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 74.52 111.188 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -30.53 60.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 73.15 110.783 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.535 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.0 m-85 -85.41 -10.03 56.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 73.31 111.326 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.63 24.19 76.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.635 -0.793 . . . . 60.35 112.362 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.535 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.3 pt -113.9 157.3 42.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 54.01 111.524 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.586 ' HG2' HG13 ' A' ' 112' ' ' VAL . 61.2 Cg_endo -73.13 147.59 42.99 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.593 2.195 . . . . 73.01 112.138 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -116.88 102.4 9.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 63.5 110.734 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 1.046 HD11 HG21 ' A' ' 158' ' ' THR . 3.0 mp -104.46 150.31 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 73.41 111.192 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -119.52 129.85 54.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 74.21 110.869 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 151' ' ' GLY . 22.2 p -134.89 -177.93 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 70.54 111.118 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.1 p -152.33 118.27 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 70.42 110.649 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -74.73 -24.61 58.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.37 -0.377 . . . . 63.24 111.35 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -76.08 -52.48 10.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.383 -0.372 . . . . 70.31 110.986 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p -90.64 -16.11 29.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.4 . . . . 51.14 111.488 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.498 ' HG2' HG21 ' A' ' 152' ' ' VAL . 3.2 tmt_? 64.35 70.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 61.41 110.622 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.05 124.49 44.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 74.5 111.061 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.532 ' O ' HG22 ' A' ' 144' ' ' THR . . . 51.93 26.04 17.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.985 -0.626 . . . . 72.31 112.897 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.498 HG21 ' HG2' ' A' ' 149' ' ' ARG . 22.4 t -58.61 -54.85 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 60.04 111.25 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.416 ' HG2' HD13 ' A' ' 23' ' ' LEU . 25.5 mt-10 -65.16 -27.65 68.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 64.34 111.101 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -57.69 -57.4 12.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.358 -0.383 . . . . 70.02 111.067 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.766 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -51.67 -38.88 56.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 73.44 111.364 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.513 ' CD2' HD22 ' A' ' 23' ' ' LEU . 43.8 m-85 -70.43 -49.49 48.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 65.22 110.873 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.5 m-85 -57.5 -30.25 64.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 75.51 110.878 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' THR . . . . . 1.046 HG21 HD11 ' A' ' 142' ' ' ILE . 35.7 m -60.38 -37.45 80.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.852 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.559 ' CD2' HD22 ' A' ' 6' ' ' LEU . 46.0 tp -63.07 -43.67 97.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 34.41 110.824 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.643 HG21 ' CD1' ' A' ' 46' ' ' ILE . 23.3 t -53.77 -40.04 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.136 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -31.23 68.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 75.2 110.775 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.68 -48.17 34.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 74.33 110.776 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.456 HD11 ' HA3' ' A' ' 77' ' ' GLY . 67.5 mt -60.85 -55.61 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.285 -0.416 . . . . 74.44 111.271 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -40.18 74.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 74.32 110.869 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.62 -21.43 66.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 74.5 111.036 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.229 -0.891 . . . . 63.34 110.831 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.68 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 121.032 0.444 . . . . 74.43 111.308 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.97 149.73 31.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.717 -0.674 . . . . 64.14 110.81 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -110.1 122.27 47.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 54.44 110.727 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -107.66 128.08 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 70.33 110.937 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.38 92.04 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 60.43 110.905 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.401 HD22 HD13 ' A' ' 159' ' ' LEU . 9.3 mt -105.92 128.47 53.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 75.05 110.84 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.444 ' CG2' ' CD2' ' A' ' 78' ' ' PHE . 5.4 m -107.25 135.63 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 51.31 111.276 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -109.62 117.65 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.139 -0.482 . . . . 71.43 111.146 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -105.67 174.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 63.41 110.993 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.33 -178.05 40.36 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.566 -0.826 . . . . 73.31 112.655 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.66 25.36 10.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.795 0.331 . . . . 72.43 111.219 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.62 110.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.654 -0.784 . . . . 70.52 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.91 -18.11 57.94 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 50.21 112.762 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 81' ' ' VAL . 29.4 m -60.8 -30.73 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 32.41 111.053 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.64 28.07 4.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 43.25 112.532 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -43.1 93.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 74.43 110.981 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -67.29 -32.21 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 54.25 110.904 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.658 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -63.5 -56.75 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 73.23 111.146 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.681 HD22 HG13 ' A' ' 152' ' ' VAL . 76.8 mt -56.16 -39.54 72.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 73.13 111.03 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.558 HG23 HG21 ' A' ' 55' ' ' ILE . 61.1 m -61.19 -61.42 2.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 71.32 110.724 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.4 mm -59.87 -31.09 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 73.34 110.957 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -59.22 -49.53 77.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 43.01 110.918 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.1 tp -70.23 -46.19 64.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 73.22 110.941 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.5 mm -59.62 -62.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 75.33 111.155 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 44.5 mt-30 -104.58 -99.47 0.32 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.445 -0.343 . . . . 64.11 111.063 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 8.2 p30 . . . . . 0 N--CA 1.465 0.297 0 CA-C-O 120.751 0.31 . . . . 73.52 110.694 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.88 0.371 . . . . 61.11 110.883 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -140.41 130.09 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 75.23 110.72 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -119.16 149.56 41.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.25 110.915 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.441 ' HG3' HD22 ' A' ' 52' ' ' LEU . 28.7 tt0 -101.63 118.71 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 75.54 110.691 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.411 HG21 HD11 ' A' ' 53' ' ' LEU . 35.9 m -129.5 -178.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 50.33 111.096 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 t -122.5 101.45 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 61.31 111.185 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.547 HG13 HG11 ' A' ' 160' ' ' VAL . 11.7 mm -82.54 100.97 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 70.14 111.023 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t70 59.35 35.96 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.33 111.031 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.49 -25.34 25.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.655 -0.783 . . . . 63.55 112.581 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.98 115.33 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 62.32 110.916 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.2 m -76.41 122.29 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 70.12 110.876 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.3 m -150.33 146.89 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.859 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.68 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.5 OUTLIER -78.99 146.08 33.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.989 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD11 HG21 ' A' ' 44' ' ' VAL . 63.9 mt -123.66 90.24 3.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 73.02 110.741 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.05 94.71 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 71.24 111.063 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.558 HG21 HG23 ' A' ' 20' ' ' THR . 35.6 mm -81.19 112.2 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.14 110.906 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.695 ' C ' HD23 ' A' ' 56' ' ' LEU . 3.9 tt -95.67 123.94 39.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 71.13 110.787 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -92.2 121.38 33.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 71.31 110.702 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.03 178.88 5.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 70.15 110.796 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 65.11 111.129 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mtm . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.703 0.287 . . . . 74.31 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -58.19 -24.3 58.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.451 -0.34 . . . . 72.52 111.09 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.98 -37.38 26.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 65.12 111.177 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.714 ' O ' HG23 ' A' ' 74' ' ' THR . 3.0 pt20 -62.36 -36.91 83.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.351 -0.386 . . . . 70.21 111.006 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -36.27 67.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 60.1 110.726 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.555 ' CB ' HG11 ' A' ' 103' ' ' VAL . 1.1 mtt -68.21 -38.12 81.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 62.51 110.671 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.417 ' HG2' HG13 ' A' ' 103' ' ' VAL . 1.2 mmt180 -70.61 -11.61 61.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.3 111.144 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 70' ' ' GLN . 70.6 p -101.71 -15.45 16.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.771 0.32 . . . . 52.45 111.249 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.36 111.92 4.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.599 -0.81 . . . . 74.53 112.75 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.1 -28.62 64.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.825 0.345 . . . . 55.33 110.856 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.432 ' O ' HG22 ' A' ' 7' ' ' VAL . . . -141.16 176.42 21.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.799 -0.715 . . . . 25.13 112.324 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.48 ' CE1' HG23 ' A' ' 100' ' ' ILE . 77.0 m-85 -140.19 137.34 34.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 75.11 110.977 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.594 HD13 HD12 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -117.33 123.45 46.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 51.42 110.732 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.8 ' HB3' HD12 ' A' ' 93' ' ' ILE . 15.2 m -96.43 105.87 18.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 73.11 111.027 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.428 ' O ' HG21 ' A' ' 14' ' ' VAL . 46.6 t -97.07 106.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.037 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.446 ' CD1' HD11 ' A' ' 113' ' ' LEU . 2.6 p90 -122.93 146.8 47.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 70.35 110.688 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 123.53 35.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 62.14 111.199 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.619 HD13 ' HD2' ' A' ' 123' ' ' ARG . 1.2 pp -62.21 -24.28 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 71.03 111.059 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.657 ' OD1' ' HB3' ' A' ' 122' ' ' ALA . 26.7 t30 -81.76 -16.56 50.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 54.1 111.152 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -118.58 100.22 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.791 0.329 . . . . 74.15 110.813 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.85 -31.92 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 33.34 110.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -53.52 -39.24 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 70.15 110.847 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.6 p -60.18 -43.87 95.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 74.33 110.506 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -59.09 -27.67 65.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 55.55 110.591 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.01 -34.76 66.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 71.43 110.714 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 11.1 m-20 -76.23 -31.36 58.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.989 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.8 HD12 ' HB3' ' A' ' 80' ' ' CYS . 29.9 mm -59.72 -31.7 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.445 -0.343 . . . . 75.43 110.714 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -70.91 -55.36 8.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 75.14 110.971 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -67.38 -28.75 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 74.33 111.037 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 3.2 m-85 -68.23 -49.7 58.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.388 -0.369 . . . . 65.23 110.695 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.574 HH22 HD22 ' A' ' 113' ' ' LEU . 1.8 tpp180 -52.32 -38.21 57.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 73.3 111.127 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.27 -36.29 77.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 62.32 110.906 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.492 ' HB3' ' HE3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -60.68 -36.81 79.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 75.23 110.898 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.513 ' CG2' HG21 ' A' ' 109' ' ' VAL . 20.0 mt -70.22 -40.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.33 111.081 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.664 ' HZ2' HG22 ' A' ' 109' ' ' VAL . 35.5 mmtt -55.77 -40.01 72.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 71.15 111.108 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -65.25 -55.66 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 70.54 110.747 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.555 HG11 ' CB ' ' A' ' 72' ' ' MET . 51.4 t -55.94 -52.86 44.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 74.41 111.088 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.08 -18.49 61.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 63.22 110.851 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.2 t0 62.6 31.88 16.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.947 0.403 . . . . 74.32 110.745 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 p -158.42 135.5 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.982 -0.554 . . . . 61.32 110.765 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.8 -24.13 62.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 71.33 111.045 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -102.14 89.87 3.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 61.32 110.945 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.664 HG22 ' HZ2' ' A' ' 101' ' ' LYS . 16.0 m -118.41 151.43 49.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 70.34 111.092 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.03 104.7 1.24 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.595 2.197 . . . . 72.41 112.278 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.646 ' HG3' HG21 ' A' ' 139' ' ' ILE . 12.1 ptp -151.67 172.29 16.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 62.12 110.887 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.444 HG11 HD13 ' A' ' 142' ' ' ILE . 16.9 t -145.81 154.57 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 44.24 111.187 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.574 HD22 HH22 ' A' ' 97' ' ' ARG . 6.4 tp -112.15 108.83 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 63.21 110.764 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.981 HG22 ' HB1' ' A' ' 155' ' ' ALA . 14.1 t -94.71 126.08 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 71.43 111.221 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.64 72.59 0.77 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.819 -0.705 . . . . 70.44 112.495 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.531 HD21 ' HB2' ' A' ' 146' ' ' ALA . 4.0 t-20 -60.24 173.01 0.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 72.14 110.923 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.529 ' CA ' HD23 ' A' ' 120' ' ' LEU . 12.9 mttt 59.74 46.74 11.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.924 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.5 t -83.27 -29.0 28.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 71.34 110.983 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -76.42 -13.9 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 70.23 111.363 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.529 HD23 ' CA ' ' A' ' 117' ' ' LYS . 4.1 mm? -52.59 161.37 0.72 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.767 0.318 . . . . 63.45 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -107.01 27.46 8.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 73.03 111.446 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.657 ' HB3' ' OD1' ' A' ' 85' ' ' ASN . . . -145.81 63.3 1.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 21.21 111.139 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.619 ' HD2' HD13 ' A' ' 84' ' ' ILE . 5.6 mmm-85 -63.34 91.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 73.22 110.997 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.443 HG21 ' O ' ' A' ' 85' ' ' ASN . 21.8 p -79.52 -30.65 41.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 73.22 110.865 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.62 100.09 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.255 -0.429 . . . . 65.53 110.907 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.21 159.97 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 64.3 110.909 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -29.43 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 71.44 110.975 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.4 tpt85 -60.0 -47.78 84.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 72.33 110.913 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -65.04 -42.62 94.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 72.43 111.096 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.472 ' HB1' ' CE1' ' A' ' 141' ' ' TYR . . . -68.49 -37.33 80.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.37 . . . . 73.44 111.101 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -31.31 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.839 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.21 -35.92 82.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.797 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 137' ' ' TYR . 24.6 tp -75.83 -51.47 12.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 64.11 110.931 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.02 96.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 65.21 111.303 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -57.18 -34.72 68.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 62.33 111.14 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.6 t -73.16 -30.89 63.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 73.23 110.787 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.421 ' CE2' HD11 ' A' ' 133' ' ' LEU . 20.0 m-85 -84.91 -18.97 33.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 73.34 111.11 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.48 16.84 65.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.671 -0.776 . . . . 72.01 112.548 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.646 HG21 ' HG3' ' A' ' 111' ' ' MET . 25.5 pt -107.77 152.91 41.75 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 72.21 111.324 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.443 ' HG2' HG22 ' A' ' 112' ' ' VAL . 44.7 Cg_endo -68.32 167.41 22.29 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.556 2.171 . . . . 73.21 112.388 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.472 ' CE1' ' HB1' ' A' ' 130' ' ' ALA . 50.9 t80 -143.82 121.55 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.05 110.825 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.834 HD11 HG21 ' A' ' 158' ' ' THR . 5.2 mp -127.85 148.62 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.31 111.02 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -111.35 134.47 52.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 65.44 110.575 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 151' ' ' GLY . 12.2 p -145.15 -177.55 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.976 0.417 . . . . 71.23 111.267 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.6 p -149.42 124.57 10.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 72.12 110.633 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.658 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.83 -33.5 68.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 52.13 111.355 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -76.14 -52.42 10.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 75.31 111.102 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -24.36 40.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.31 -0.405 . . . . 62.43 111.248 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 64.88 58.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 74.31 110.709 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -111.74 126.11 54.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.523 . . . . 71.32 111.017 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 144' ' ' THR . . . 52.57 23.71 15.06 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.9 -0.667 . . . . 43.44 112.994 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.681 HG13 HD22 ' A' ' 19' ' ' LEU . 26.2 t -57.73 -54.91 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.884 0.373 . . . . 64.34 111.035 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.43 -25.44 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 71.31 110.948 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -56.39 22.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.417 . . . . 72.12 110.961 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.981 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -55.98 -38.45 70.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 60.32 111.153 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -66.69 -50.29 63.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 73.53 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -58.25 -31.34 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 75.11 111.006 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.834 HG21 HD11 ' A' ' 142' ' ' ILE . 77.4 m -58.31 -36.63 73.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 63.52 111.016 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.594 HD12 HD13 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -63.3 -46.87 84.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.53 110.976 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.547 HG11 HG13 ' A' ' 46' ' ' ILE . 13.7 t -55.48 -46.21 78.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.104 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -35.7 75.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 54.13 110.795 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.24 -53.53 29.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.963 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.441 ' CD1' HD22 ' A' ' 159' ' ' LEU . 79.7 mt -58.45 -38.29 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.168 -0.469 . . . . 70.44 111.265 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -56.75 -42.11 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 74.32 110.908 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -64.28 -39.21 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 70.34 110.816 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.183 -0.913 . . . . 70.41 110.797 179.912 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.6 ' SD ' HG22 ' A' ' 50' ' ' THR . 9.3 tpp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.003 0.43 . . . . 71.23 111.235 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.29 145.47 46.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.77 -0.65 . . . . 60.41 110.605 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -95.86 120.31 35.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.82 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.444 ' HB2' HD23 ' A' ' 53' ' ' LEU . 54.5 m-85 -111.21 103.12 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 73.13 110.986 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 94.26 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 70.22 110.618 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.545 HD12 HD11 ' A' ' 55' ' ' ILE . 50.6 mt -88.06 101.72 14.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.083 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.413 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 57.1 t -87.51 108.5 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.11 110.893 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.473 HG12 ' HG3' ' A' ' 16' ' ' LYS . 3.5 t -89.39 145.43 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 65.12 111.21 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 79' ' ' LEU . 19.3 m -129.51 157.36 42.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 73.13 110.965 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.49 154.31 19.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.574 -0.822 . . . . 60.11 112.648 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.765 ' HB2' ' CG ' ' A' ' 92' ' ' ASP . . . -72.85 -18.72 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.733 0.301 . . . . 72.44 111.438 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.431 ' O ' ' PB ' ' A' ' 219' ' ' GNP . . . 144.0 -58.12 0.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.829 -0.701 . . . . 73.2 112.343 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.85 26.08 8.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 72.43 112.428 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.544 HG12 ' HB3' ' A' ' 89' ' ' SER . 35.8 m -77.74 -19.37 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.685 0.279 . . . . 72.11 111.524 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.75 13.76 11.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 43.41 112.45 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HG3' HG12 ' A' ' 8' ' ' VAL . 2.6 ttmt -58.81 -52.57 65.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.896 0.379 . . . . 71.12 110.716 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -72.77 -25.43 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 53.35 110.963 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.22 -38.53 78.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.382 -0.372 . . . . 63.22 111.13 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.495 HD23 HG13 ' A' ' 152' ' ' VAL . 1.8 mt -70.91 -36.9 72.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 52.44 110.893 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.488 HG23 ' CG2' ' A' ' 55' ' ' ILE . 88.7 m -68.11 -55.4 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 73.11 110.825 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.7 mm -55.16 -31.24 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 53.35 110.927 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -74.66 -44.98 47.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 71.1 110.791 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -70.91 -11.32 60.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.996 -0.547 . . . . 63.23 111.17 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.1 mm -111.03 -71.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 73.13 111.317 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 3.2 mt-30 -84.48 -25.63 28.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.12 111.373 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 65.11 74.64 0.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.828 0.347 . . . . 64.13 110.784 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' CD2' ' HB2' ' A' ' 25' ' ' GLN . 13.2 p80 -176.64 168.52 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 73.54 110.987 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.445 ' CZ ' " O2'" ' A' ' 219' ' ' GNP . 23.9 t80 -92.42 121.8 34.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 75.12 110.597 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.601 HG11 ' CE2' ' A' ' 32' ' ' TYR . 16.4 m -55.78 111.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.125 0.488 . . . . 73.04 111.447 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -113.6 -20.45 11.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.759 -0.655 . . . . 75.43 111.461 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -166.42 31.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.698 0.285 . . . . 65.32 111.179 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.601 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -78.65 163.24 25.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 64.51 110.983 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -56.06 133.59 74.38 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.996 -0.547 . . . . 74.51 110.95 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -74.34 84.22 1.57 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.554 2.169 . . . . 74.34 112.445 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.7 ' O ' HG23 ' A' ' 36' ' ' ILE . 4.3 t 62.74 130.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 73.21 110.971 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -164.87 166.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 51.43 111.216 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -82.97 0.02 46.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 74.11 111.512 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.23 64.34 0.25 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.896 0.379 . . . . 63.23 110.679 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.5 p -56.06 163.16 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 72.32 111.091 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -124.58 160.7 27.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 71.35 110.811 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.7 ptt85 -146.13 116.73 7.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.405 . . . . 51.24 110.857 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -108.93 148.15 31.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 63.1 110.998 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -101.72 120.36 40.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.601 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.37 -178.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 71.32 111.254 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' ' 45' ' ' VAL . 9.1 p -124.97 107.97 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.513 . . . . 73.54 111.089 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.884 HG13 HG11 ' A' ' 160' ' ' VAL . 12.5 mm -84.83 101.52 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 63.03 111.139 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.17 44.21 22.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 64.31 111.042 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.17 20.45 64.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 63.51 112.626 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -123.4 93.21 3.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.909 0.385 . . . . 60.35 110.871 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.6 HG22 ' SD ' ' A' ' 1' ' ' MET . 52.9 m -59.92 119.99 8.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 63.33 111.033 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.6 m -150.95 153.95 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 65.11 110.777 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.572 HD23 ' HG2' ' A' ' 1' ' ' MET . 0.5 OUTLIER -82.79 147.01 28.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 71.24 111.047 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 4' ' ' TYR . 42.2 mt -126.81 94.15 3.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.31 110.725 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.93 91.22 8.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 71.04 111.181 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 55' ' ' ILE . 1.7 mp -83.85 113.44 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 62.54 110.632 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.65 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -91.07 122.66 33.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.733 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -104.06 104.3 14.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 74.55 110.736 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.65 HG22 HD21 ' A' ' 56' ' ' LEU . 3.1 p -85.74 -173.78 4.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 73.54 110.97 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.54 162.78 16.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 74.52 111.261 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.06 86.78 1.1 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.408 -0.901 . . . . 62.21 112.435 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 45.14 70.5 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 74.3 111.643 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -122.93 38.98 4.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 72.54 111.044 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 56.46 87.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.872 -0.603 . . . . 73.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.15 34.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 65.4 110.852 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -27.95 63.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 51.43 111.052 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.18 -40.27 77.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.353 -0.385 . . . . 34.4 111.241 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.3 mmt -79.11 -27.03 42.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 44.32 110.955 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -31.61 62.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 51.42 110.987 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.27 -28.4 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.866 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -74.81 -39.66 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 72.41 110.915 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.59 -53.68 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 51.15 111.075 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.3 mtt -52.04 -43.52 63.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.267 -0.424 . . . . 64.52 110.988 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.44 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 73.0 mtp180 -67.18 -21.2 65.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 73.01 111.0 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.9 p -105.13 -0.97 26.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 72.42 111.494 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.413 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -89.87 129.72 9.85 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.5 -0.857 . . . . 73.02 112.866 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 40.3 mm-40 -74.49 -22.3 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 62.32 110.804 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.443 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -160.28 171.31 36.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.987 -0.625 . . . . 55.32 112.245 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CE2' HG23 ' A' ' 100' ' ' ILE . 90.8 m-85 -135.25 139.9 44.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 64.54 111.027 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.729 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -117.6 120.63 38.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.833 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.41 ' HB3' HD12 ' A' ' 93' ' ' ILE . 5.6 m -91.03 112.91 25.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 74.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.475 ' O ' HD11 ' A' ' 93' ' ' ILE . 42.3 t -101.01 121.06 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 63.22 111.064 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.65 147.88 52.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.791 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.75 123.68 40.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 62.01 110.937 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' A' ' 123' ' ' ARG . 6.8 pt -61.12 -26.69 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.963 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.652 ' OD1' HD12 ' A' ' 120' ' ' LEU . 0.6 OUTLIER -87.44 -26.13 23.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.966 -0.561 . . . . 73.21 110.964 -179.806 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -103.4 110.18 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.38 -0.373 . . . . 73.43 110.937 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -71.61 -22.3 61.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 73.41 110.973 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -59.17 -41.04 87.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.857 0.36 . . . . 72.05 110.584 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.544 ' HB3' HG12 ' A' ' 14' ' ' VAL . 56.1 p -59.42 -47.38 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.027 -0.533 . . . . 64.13 110.613 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.44 ' CE2' ' HG2' ' A' ' 129' ' ' GLN . 43.5 t80 -56.72 -23.2 40.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.999 -0.546 . . . . 63.21 110.806 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -79.26 -52.32 8.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 72.41 111.072 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.765 ' CG ' ' HB2' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -69.97 -31.23 68.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 44.31 111.131 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.475 HD11 ' O ' ' A' ' 81' ' ' VAL . 11.9 mm -61.6 -26.83 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 120.806 0.336 . . . . 53.32 110.737 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -73.55 -55.41 6.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.218 -0.447 . . . . 64.45 110.628 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -66.18 -28.48 68.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 70.14 110.975 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -56.93 -44.23 82.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 72.54 110.934 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.473 ' HA ' HD12 ' A' ' 100' ' ' ILE . 7.6 ttt85 -59.8 -39.91 86.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.999 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.94 -32.8 68.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.31 111.035 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -36.1 82.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.417 . . . . 73.42 110.79 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.564 HG23 ' CE2' ' A' ' 78' ' ' PHE . 30.9 mt -67.63 -48.82 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -55.38 -29.63 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 74.44 111.018 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -71.24 -58.73 3.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 75.23 110.806 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 41.0 t -58.1 -58.97 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 74.45 110.94 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -59.85 -23.7 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.805 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.7 t70 62.62 45.96 5.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.268 -0.423 . . . . 70.03 110.757 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.73 141.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.867 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.55 -31.45 68.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 74.42 110.811 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -78.9 97.4 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 63.04 110.737 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.528 HG13 ' HD2' ' A' ' 110' ' ' PRO . 49.6 t -136.59 136.47 21.94 Favored Pre-proline 0 N--CA 1.452 -0.375 0 CA-C-N 116.188 -0.46 . . . . 54.42 110.925 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.528 ' HD2' HG13 ' A' ' 109' ' ' VAL . 57.3 Cg_endo -71.72 108.01 2.32 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.834 2.356 . . . . 64.41 112.207 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.846 ' HG3' HG21 ' A' ' 139' ' ' ILE . 13.8 ptp -150.67 169.89 20.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 73.25 110.883 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.74 HG23 HD22 ' A' ' 159' ' ' LEU . 48.9 t -145.25 145.87 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 73.13 111.138 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.96 113.48 26.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.712 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.643 HG21 ' HB1' ' A' ' 155' ' ' ALA . 21.9 t -107.05 147.61 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 33.12 111.321 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.42 83.63 0.33 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.878 -0.677 . . . . 73.24 112.422 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -64.94 171.06 3.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.824 0.345 . . . . 63.42 111.001 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.56 47.46 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 75.51 110.815 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.56 16.61 13.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 61.2 111.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -110.48 -30.11 7.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.745 0.307 . . . . 71.42 111.017 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.652 HD12 ' OD1' ' A' ' 85' ' ' ASN . 15.5 mt -49.23 162.67 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.437 . . . . 73.52 111.149 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -111.26 26.68 10.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 60.1 111.508 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.21 66.64 1.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 50.22 111.205 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.615 ' HB3' HD12 ' A' ' 84' ' ' ILE . 8.6 ptp85 -84.08 140.71 31.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 72.11 111.05 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.1 p -108.38 -43.9 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 74.31 110.783 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.428 HG13 ' HB3' ' A' ' 129' ' ' GLN . 98.4 t -92.83 106.91 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 33.34 110.876 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.77 163.82 23.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.861 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.3 p -56.97 -29.33 63.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 63.43 111.094 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 32.3 tpt85 -56.0 -53.99 50.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 72.54 110.851 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.44 ' HG2' ' CE2' ' A' ' 90' ' ' PHE . 2.8 tt0 -61.0 -46.6 90.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.061 -0.518 . . . . 64.42 110.931 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.92 69.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 62.21 111.186 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -33.08 62.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 63.45 111.021 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -54.23 -47.28 72.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 65.54 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.5 mt -67.12 -47.47 71.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 72.01 111.145 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -64.86 -32.41 74.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.418 . . . . 62.13 111.034 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -33.64 33.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.644 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.6 t -77.74 -33.06 53.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 51.13 110.713 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.507 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.9 m-85 -88.25 -14.41 38.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.037 -0.529 . . . . 64.24 111.147 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.47 21.32 72.85 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.676 -0.773 . . . . 50.54 112.576 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.846 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.9 pt -110.34 156.63 39.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 72.31 111.577 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.609 ' HG2' HG13 ' A' ' 112' ' ' VAL . 53.9 Cg_endo -70.65 156.8 60.29 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.53 2.153 . . . . 75.43 112.355 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -127.51 117.0 21.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 75.24 110.784 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.896 HD11 HG21 ' A' ' 158' ' ' THR . 2.1 mp -121.09 152.59 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 71.31 110.925 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.17 130.24 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.409 . . . . 45.5 110.899 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 151' ' ' GLY . 30.5 p -142.39 176.06 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.943 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 p -148.14 121.47 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.53 110.815 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.532 ' HB3' ' N7 ' ' A' ' 219' ' ' GNP . . . -71.28 -24.26 62.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 34.41 111.515 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -77.06 -57.21 3.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.424 -0.353 . . . . 73.24 111.219 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 40.8 p -83.74 -23.42 31.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 55.31 111.398 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 68.02 64.06 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.99 0.424 . . . . 71.34 110.805 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -113.15 120.27 40.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.029 -0.532 . . . . 73.32 110.957 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.491 ' O ' HG22 ' A' ' 144' ' ' THR . . . 54.75 27.29 42.81 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.855 -0.688 . . . . 71.52 112.739 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.495 HG13 HD23 ' A' ' 19' ' ' LEU . 25.7 t -56.34 -56.09 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 65.53 111.236 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -64.93 -27.48 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.944 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -35.47 71.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 63.12 110.868 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.643 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -72.2 -43.71 64.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 55.52 111.094 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -64.24 -49.41 72.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.92 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -52.61 -40.45 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 73.41 111.375 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.896 HG21 HD11 ' A' ' 142' ' ' ILE . 7.2 m -54.75 -37.43 65.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.853 0.359 . . . . 72.33 111.005 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.74 HD22 HG23 ' A' ' 112' ' ' VAL . 0.4 OUTLIER -57.41 -47.08 82.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 75.55 110.699 179.572 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.884 HG11 HG13 ' A' ' 46' ' ' ILE . 8.1 t -56.35 -34.46 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 51.24 111.002 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -65.86 -48.46 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 70.34 110.907 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.31 -47.25 82.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 73.01 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 40.7 mt -58.99 -57.42 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.165 -0.471 . . . . 72.32 110.931 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -40.61 27.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.867 -0.606 . . . . 73.44 111.141 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -59.54 -33.87 71.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 61.53 110.824 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.256 -0.878 . . . . 72.0 110.888 179.941 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.806 " H3'" ' O2A' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.843 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.797 0.332 . . . . 73.14 111.14 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -103.1 149.76 24.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 65.35 110.875 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -102.83 107.14 17.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 74.24 110.746 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -97.08 146.19 25.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 54.2 110.961 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.8 100.55 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.729 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.654 HD12 ' CD1' ' A' ' 55' ' ' ILE . 15.2 mt -97.93 123.73 42.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 74.11 111.178 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.427 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 94.1 t -105.15 102.23 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 116.162 -0.472 . . . . 73.41 110.807 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.42 ' CG1' ' HG2' ' A' ' 16' ' ' LYS . 6.0 t -85.75 132.91 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 25.43 111.199 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 79' ' ' LEU . 6.2 m -109.64 168.85 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 62.45 111.082 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.65 149.93 21.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 73.01 112.529 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.87 10.42 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.635 0.255 . . . . 75.53 111.534 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.56 58.02 2.0 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.615 -0.802 . . . . 70.44 112.687 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.481 ' N ' ' O1G' ' A' ' 219' ' ' GNP . . . 127.38 43.23 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 44.53 112.547 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 81' ' ' VAL . 35.3 m -119.06 -6.35 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 111.764 0.283 . . . . 64.12 111.764 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.9 21.14 40.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 65.43 112.553 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HG2' ' CG1' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -59.94 -58.39 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 75.3 110.787 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.63 -30.87 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 72.32 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.648 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -68.05 -50.92 52.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 73.54 111.039 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.658 ' CD2' HG13 ' A' ' 152' ' ' VAL . 17.1 mt -53.64 -43.72 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 74.52 110.942 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.668 HG21 ' HB2' ' A' ' 57' ' ' ASP . 89.0 m -65.23 -52.37 55.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 62.21 110.74 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.6 -28.99 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.943 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -67.07 -38.39 85.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 74.45 110.894 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.76 -11.74 59.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 62.45 111.469 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.1 mm -114.27 -67.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.784 0.326 . . . . 64.42 111.411 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -80.78 -28.66 36.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.308 -0.405 . . . . 62.03 111.093 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.05 28.1 8.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.275 -0.421 . . . . 73.22 110.987 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -128.78 178.24 6.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.42 . . . . 75.43 110.572 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.482 ' CZ ' " O2'" ' A' ' 219' ' ' GNP . 4.0 t80 -96.66 116.64 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.468 -0.333 . . . . 75.2 110.72 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.4 m -56.61 127.73 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 72.4 111.29 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -150.1 23.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 62.22 111.07 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -173.63 76.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.883 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.439 ' CZ ' ' O ' ' A' ' 252' ' ' HOH . 41.3 p90 -136.7 176.28 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.043 -0.526 . . . . 73.41 110.921 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.55 150.79 76.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.978 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.74 126.76 15.88 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.699 2.266 . . . . 64.11 112.305 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.421 ' OG ' ' HB2' ' A' ' 59' ' ' ALA . 0.8 OUTLIER 56.74 91.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 51.13 111.019 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.4 -20.9 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 75.23 111.705 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 60.81 18.42 8.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.369 -0.378 . . . . 71.31 111.222 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -103.28 45.58 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.954 0.407 . . . . 53.11 110.418 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 81.7 p -54.05 -178.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.022 -0.536 . . . . 73.44 110.995 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.81 167.76 21.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 64.14 110.85 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.74 165.18 27.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 61.01 110.822 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tttt -149.27 145.81 27.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 73.02 110.858 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -108.31 119.4 39.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 70.43 110.928 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 46' ' ' ILE . 29.5 m -135.08 -178.47 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 70.11 111.079 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.2 101.59 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 63.4 111.101 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.744 ' CD1' HG21 ' A' ' 160' ' ' VAL . 17.4 mt -115.01 131.48 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 75.23 111.014 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 61.78 32.59 18.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 53.21 110.852 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.7 28.45 71.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.7 -0.762 . . . . 70.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -142.91 112.83 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 73.25 110.857 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -58.83 123.21 15.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 44.02 110.881 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.48 ' HB3' HG22 ' A' ' 2' ' ' THR . 64.2 m -144.06 145.31 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.906 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.843 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.5 OUTLIER -78.72 149.78 32.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 72.2 110.894 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.3 mt -126.7 82.36 2.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.873 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.11 95.95 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 60.02 110.965 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.656 ' CG2' HG23 ' A' ' 20' ' ' THR . 19.2 mm -79.63 108.43 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 62.13 110.959 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -84.23 118.96 24.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.23 111.035 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.668 ' HB2' HG21 ' A' ' 20' ' ' THR . 67.7 t0 -109.65 76.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.762 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.2 p -75.37 -176.46 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 40.02 111.06 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB2' ' OG ' ' A' ' 35' ' ' SER . . . -58.72 162.66 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.996 -0.547 . . . . 75.12 111.263 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.01 -6.93 55.39 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.881 -0.676 . . . . 61.51 112.994 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.412 ' NE2' ' CE1' ' A' ' 96' ' ' TYR . 13.7 mt-30 73.14 98.24 0.07 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.883 0.373 . . . . 64.43 110.886 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -158.78 113.85 2.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.053 -0.521 . . . . 75.22 110.785 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.49 29.42 18.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 54.13 110.959 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -138.16 177.27 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 50.34 110.867 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.28 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.965 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.58 -64.42 0.81 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.386 . . . . 71.4 111.332 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -60.04 -27.71 67.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 63.53 110.945 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -67.42 -30.73 70.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 71.15 110.995 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.08 -27.35 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 75.22 110.664 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -72.49 -38.75 68.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 63.13 110.698 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -75.89 -45.48 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.916 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.8 mtt -54.36 -50.81 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.417 . . . . 72.25 110.722 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.41 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 62.7 mtp180 -62.58 -27.62 69.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.966 -0.561 . . . . 62.43 111.043 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.8 p -98.2 18.07 17.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.067 -0.515 . . . . 75.21 111.351 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.86 125.93 6.77 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.428 -0.891 . . . . 63.3 112.617 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 3.7 mm-40 -68.98 -27.72 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.711 0.291 . . . . 75.22 110.829 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.27 -171.12 18.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.797 -0.716 . . . . 71.54 112.373 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.569 ' CE2' HG23 ' A' ' 100' ' ' ILE . 98.8 m-85 -147.18 145.08 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 51.33 111.055 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.004 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -125.89 122.79 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 73.53 110.813 179.793 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.757 ' HB3' HD12 ' A' ' 93' ' ' ILE . 23.8 m -97.85 119.88 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.862 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.479 ' O ' HG21 ' A' ' 14' ' ' VAL . 38.4 t -107.34 105.96 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.12 111.121 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD1' ' HA2' ' A' ' 115' ' ' GLY . 0.1 OUTLIER -113.19 156.92 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.693 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.85 125.15 50.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 71.43 111.161 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.814 HD12 ' HB3' ' A' ' 123' ' ' ARG . 2.8 pt -61.4 -28.92 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.701 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 122' ' ' ALA . 9.3 t-20 -83.33 -24.82 31.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 71.24 110.743 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -105.51 102.43 11.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 63.03 110.974 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.5 m -64.07 -29.8 70.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 73.1 110.912 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -56.48 -43.15 79.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 72.44 111.018 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.2 p -58.95 -47.5 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 70.25 110.797 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -57.04 -29.55 63.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 74.42 110.793 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -79.82 -40.51 28.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 61.35 110.844 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.406 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 1.1 m-20 -69.96 -31.18 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.757 HD12 ' HB3' ' A' ' 80' ' ' CYS . 8.3 mm -63.84 -29.56 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.301 -0.409 . . . . 73.44 110.541 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -69.93 -55.46 9.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 73.11 110.441 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -66.06 -28.3 68.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 73.42 110.882 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.412 ' CE1' ' NE2' ' A' ' 61' ' ' GLN . 2.0 m-85 -61.88 -42.18 98.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 74.42 110.923 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HA ' HD12 ' A' ' 100' ' ' ILE . 7.4 ttt85 -57.15 -36.38 70.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 54.31 111.007 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.06 -29.92 67.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.95 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -44.42 80.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.422 . . . . 62.13 110.905 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.569 HG23 ' CE2' ' A' ' 78' ' ' PHE . 12.7 mt -60.29 -52.34 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 64.22 110.917 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -52.33 -25.92 10.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.239 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -73.97 -58.52 3.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 73.32 110.813 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.41 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 38.3 t -59.45 -53.25 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 61.3 110.977 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -65.0 -25.83 68.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 74.4 110.893 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.5 t0 64.57 45.11 3.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.969 0.414 . . . . 73.15 110.778 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -171.61 156.78 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 61.23 110.911 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -84.95 -36.26 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 44.12 110.778 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.47 97.74 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 64.22 110.845 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.527 HG13 ' HD2' ' A' ' 110' ' ' PRO . 61.0 t -131.63 136.21 28.12 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.661 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.527 ' HD2' HG13 ' A' ' 109' ' ' VAL . 57.3 Cg_endo -72.22 102.62 1.39 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.826 2.351 . . . . 45.5 112.322 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.567 ' HE2' HD13 ' A' ' 100' ' ' ILE . 18.2 ptp -147.05 168.96 20.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 60.12 110.918 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.615 HG23 HD22 ' A' ' 159' ' ' LEU . 48.3 t -143.52 144.48 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.09 -0.505 . . . . 61.53 111.159 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 114' ' ' VAL . 5.8 tp -107.31 125.97 51.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 74.33 110.662 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.619 ' N ' HD12 ' A' ' 113' ' ' LEU . 21.2 t -113.24 144.57 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 72.44 111.229 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.416 ' HA2' ' CD1' ' A' ' 82' ' ' PHE . . . -108.05 72.42 0.21 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.791 -0.719 . . . . 62.23 112.272 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.515 HD21 ' HB2' ' A' ' 146' ' ' ALA . 0.9 OUTLIER -55.41 172.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 64.44 111.129 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.805 ' CG ' HD12 ' A' ' 120' ' ' LEU . 0.0 OUTLIER 68.38 45.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 61.41 111.063 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.6 p -89.84 9.16 28.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 74.41 111.277 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -106.2 -37.1 6.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.8 0.333 . . . . 75.03 110.76 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.805 HD12 ' CG ' ' A' ' 117' ' ' LYS . 26.2 mt -55.62 137.14 49.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.45 110.97 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.57 39.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 72.31 111.217 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' A' ' 85' ' ' ASN . . . -143.48 34.56 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 54.33 111.001 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.814 ' HB3' HD12 ' A' ' 84' ' ' ILE . 7.8 ptp85 -54.48 144.73 20.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.405 . . . . 72.35 111.12 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 34.7 p -112.94 -43.37 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 70.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.39 102.66 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.906 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -56.72 162.97 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 75.05 111.057 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.7 m -58.48 -42.56 87.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 51.22 111.018 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -54.81 -48.29 72.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 72.01 110.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -62.19 -35.9 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.985 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.34 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 34.03 111.204 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.63 -35.37 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 74.32 110.992 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -58.41 -37.11 74.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 74.12 110.957 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.2 tp -74.77 -51.1 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.53 110.87 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.42 98.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.01 111.121 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -59.09 -30.75 68.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 72.13 111.02 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -39.7 64.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 71.33 110.67 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.41 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 20.5 m-85 -70.83 -21.45 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 74.23 111.094 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.58 16.93 65.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 71.23 112.524 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.512 HD13 ' HG3' ' A' ' 111' ' ' MET . 6.2 pt -112.54 157.2 40.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.672 0.272 . . . . 72.04 111.51 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HG2' HG13 ' A' ' 112' ' ' VAL . 43.2 Cg_endo -68.35 163.97 34.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.644 2.229 . . . . 73.03 112.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -137.87 118.4 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 74.52 110.898 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.922 HD11 HG21 ' A' ' 158' ' ' THR . 3.2 mp -117.53 154.34 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 63.34 111.035 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.412 ' N ' HG22 ' A' ' 142' ' ' ILE . 0.9 OUTLIER -116.4 130.35 56.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 61.54 110.723 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.1 p -145.05 -174.34 4.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 53.42 111.25 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.1 p -151.99 123.71 7.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.983 -0.553 . . . . 72.02 110.751 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.648 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.77 -27.66 63.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.22 111.511 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -79.33 -56.97 3.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.353 -0.385 . . . . 70.12 111.206 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 p -79.69 -22.48 43.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.206 -0.452 . . . . 62.32 111.124 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.99 60.35 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.994 0.426 . . . . 75.51 110.78 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.37 124.32 50.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.918 -0.583 . . . . 62.23 110.798 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 53.72 24.86 27.22 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.763 -0.732 . . . . 60.32 112.764 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.658 HG13 ' CD2' ' A' ' 19' ' ' LEU . 98.0 t -54.37 -56.02 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-O 120.819 0.342 . . . . 61.44 111.245 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 2.2 mp0 -66.0 -25.96 67.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.791 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -40.12 80.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 52.12 110.94 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.593 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -66.83 -49.05 66.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 62.3 111.07 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -61.4 -44.68 96.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.907 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.3 m-85 -56.12 -34.47 66.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 61.23 111.072 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.922 HG21 HD11 ' A' ' 142' ' ' ILE . 88.0 m -61.02 -38.4 85.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 65.31 110.872 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 1.004 HD23 HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -54.92 -39.45 68.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 64.23 111.004 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.744 HG21 ' CD1' ' A' ' 46' ' ' ILE . 21.6 t -61.53 -47.51 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 71.12 111.071 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -60.8 -27.1 67.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 71.44 110.993 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -74.36 -48.01 30.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 70.35 111.015 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.451 HG12 ' HB2' ' A' ' 110' ' ' PRO . 34.3 mt -65.64 -36.91 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.231 -0.44 . . . . 70.21 111.13 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.23 -26.73 68.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 74.55 111.334 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -96.46 -23.24 16.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.532 -0.304 . . . . 74.51 111.362 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.418 -0.801 . . . . 71.24 111.136 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.682 ' N3B' ' O1A' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 252' ' ' HOH . . . . . 0.439 ' O ' ' CZ ' ' A' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.407 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.786 0.327 . . . . 75.41 111.188 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 t -85.97 149.76 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.948 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.66 130.19 54.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 74.23 110.877 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -129.3 124.24 33.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.968 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.51 99.35 12.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.772 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.542 ' HB2' HD13 ' A' ' 55' ' ' ILE . 3.9 mm? -82.59 104.78 13.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 72.42 111.144 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.8 t -94.43 102.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 63.45 110.98 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.4 t -93.46 139.29 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 75.25 111.108 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.2 m -121.12 179.67 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 65.5 110.928 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.32 174.01 38.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.59 -0.814 . . . . 54.44 112.561 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.503 ' HB2' ' CG ' ' A' ' 92' ' ' ASP . . . -112.54 21.07 16.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.676 0.274 . . . . 73.34 111.286 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.412 ' O ' ' O1B' ' A' ' 219' ' ' GNP . . . 99.15 -77.4 0.52 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.607 -0.806 . . . . 53.41 112.658 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.22 50.76 3.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.882 -0.675 . . . . 64.32 112.894 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG12 ' HB3' ' A' ' 89' ' ' SER . 33.0 m -119.16 -4.86 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.614 0.227 . . . . 72.43 111.614 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.05 25.2 71.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.64 -0.79 . . . . 70.21 112.364 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' CD ' ' O ' ' A' ' 252' ' ' HOH . 0.0 OUTLIER -65.45 -37.97 88.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 72.35 110.99 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 p -75.53 -30.15 59.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.34 110.861 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.791 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -57.2 -51.21 70.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 63.52 111.184 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' CD2' HG13 ' A' ' 152' ' ' VAL . 38.7 mt -58.88 -37.29 76.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 73.33 110.919 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.619 HG23 ' CG2' ' A' ' 55' ' ' ILE . 88.2 m -59.12 -55.89 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 73.51 110.744 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.698 HG21 ' CE1' ' A' ' 27' ' ' HIS . 30.6 mm -68.88 -28.05 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 72.21 110.969 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.428 ' HB3' HG11 ' A' ' 152' ' ' VAL . 1.0 OUTLIER -58.18 -37.62 75.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 65.31 110.945 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.0 tp -76.04 -47.55 24.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 45.5 110.98 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mm -72.14 -65.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 75.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.591 ' O ' HG22 ' A' ' 21' ' ' ILE . 12.7 mt-30 -130.1 93.71 3.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 73.31 110.531 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -62.83 76.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 71.35 111.249 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.698 ' CE1' HG21 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -128.29 -10.99 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 74.42 111.611 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.405 ' CZ ' " O2'" ' A' ' 219' ' ' GNP . 6.7 t80 75.46 132.94 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.511 -0.313 . . . . 63.31 110.623 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.545 HG13 ' CD1' ' A' ' 32' ' ' TYR . 25.3 t -55.01 145.09 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.05 0.452 . . . . 63.05 111.182 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 25.8 t70 176.31 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.73 -0.668 . . . . 60.15 110.515 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -129.28 80.11 1.95 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 75.52 110.975 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.545 ' CD1' HG13 ' A' ' 29' ' ' VAL . 14.0 p90 -139.68 171.69 13.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.82 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.651 ' HB3' HG21 ' A' ' 36' ' ' ILE . 12.4 t70 -90.14 137.68 27.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 63.55 110.793 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.49 121.4 7.69 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.498 2.132 . . . . 74.33 112.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 59.59 96.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 74.34 110.843 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.651 HG21 ' HB3' ' A' ' 33' ' ' ASP . 1.2 pp -145.89 152.44 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 34.53 111.122 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -109.7 23.83 13.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.972 -0.558 . . . . 63.44 111.131 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -80.77 58.66 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.398 . . . . 61.42 110.74 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.0 t -55.38 141.47 36.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 71.03 111.082 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -93.37 164.51 13.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 64.41 110.888 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -135.64 112.58 10.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 74.21 110.927 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.15 146.31 40.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.031 0.443 . . . . 74.23 110.914 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -108.37 127.06 53.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.911 -0.586 . . . . 75.43 110.893 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 53' ' ' LEU . 28.1 m -132.85 -179.5 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 72.1 111.087 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.1 t -124.19 100.79 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 75.02 111.072 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.882 HG13 HG11 ' A' ' 160' ' ' VAL . 12.6 mm -86.12 99.74 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 73.11 111.05 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 61.42 53.49 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 72.4 110.842 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.23 27.99 73.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 23.32 112.536 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -136.74 106.61 6.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 73.21 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.2 m -61.31 143.46 55.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 52.11 110.935 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -159.72 142.73 14.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 33.33 111.019 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.407 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -82.04 134.8 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 73.12 110.695 179.832 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.537 HD11 HG21 ' A' ' 44' ' ' VAL . 79.9 mt -121.68 109.26 14.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 52.12 110.899 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -100.97 97.78 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.834 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.619 ' CG2' HG23 ' A' ' 20' ' ' THR . 11.7 mm -85.96 112.28 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 62.54 111.076 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.407 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -90.24 129.35 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 73.02 110.633 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' HB3' HG21 ' A' ' 20' ' ' THR . 13.5 p-10 -108.78 104.79 14.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 74.32 110.627 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.407 HG22 HD21 ' A' ' 56' ' ' LEU . 11.2 p -75.38 -173.71 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 51.32 110.84 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 63' ' ' GLU . . . -91.44 161.42 14.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 32.3 111.077 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.59 -28.93 3.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.785 -0.722 . . . . 74.2 112.495 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -109.7 -65.62 1.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 74.35 110.819 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -61.28 -156.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 73.23 110.531 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.734 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 3.2 mm-40 -43.88 142.43 1.34 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.782 0.325 . . . . 73.02 111.37 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -143.84 -86.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 71.41 111.036 -179.817 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.91 -29.25 41.27 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.715 0.293 . . . . 44.2 111.028 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.09 -59.64 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.4 -0.364 . . . . 43.42 110.901 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.2 mtm -79.7 -22.73 43.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 71.32 110.831 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -55.82 -32.23 63.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 75.33 111.032 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.2 -30.99 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 45.01 110.637 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -68.0 -40.84 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 63.33 110.661 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -70.33 -32.02 69.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 61.11 111.037 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.657 ' CB ' HG11 ' A' ' 103' ' ' VAL . 1.1 mtt -61.19 -53.35 58.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 74.41 110.854 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.67 ' HG2' HG13 ' A' ' 103' ' ' VAL . 19.2 mtm105 -60.59 -22.95 64.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 64.54 110.929 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.1 p -109.55 19.2 19.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 62.32 111.254 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.49 154.47 16.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.579 -0.82 . . . . 71.44 112.652 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.56 4.54 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.687 0.28 . . . . 72.55 111.369 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.26 165.68 36.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.679 -0.772 . . . . 74.22 112.555 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.612 ' CE2' HG23 ' A' ' 100' ' ' ILE . 68.1 m-85 -140.37 144.22 36.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 72.21 110.955 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.753 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -125.0 120.33 31.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 65.34 110.887 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.81 ' HB3' HD12 ' A' ' 93' ' ' ILE . 33.1 m -92.31 115.28 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 70.22 110.929 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.08 114.58 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.01 111.026 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.432 ' HB3' HG13 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -121.84 148.89 44.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 74.3 110.728 179.874 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 86' ' ' ASN . . . -96.39 127.89 42.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 64.4 111.072 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' A' ' 123' ' ' ARG . 3.1 pt -59.07 -29.06 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 72.54 111.044 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 122' ' ' ALA . 45.4 t30 -86.31 -25.41 25.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.854 -0.612 . . . . 73.22 111.011 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 2.0 t-20 -101.02 96.5 7.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.359 -0.382 . . . . 62.13 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.4 m -62.31 -27.2 68.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 73.45 111.006 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -58.29 -36.39 73.24 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.886 0.374 . . . . 75.04 110.499 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.667 ' HB3' HG12 ' A' ' 14' ' ' VAL . 60.1 p -62.29 -51.37 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 71.32 110.49 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.416 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 76.2 t80 -55.22 -25.65 34.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.546 . . . . 74.43 110.961 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.9 -56.51 4.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 60.04 111.122 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.503 ' CG ' ' HB2' ' A' ' 11' ' ' ALA . 1.2 p30 -63.67 -33.41 75.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 75.5 111.176 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.81 HD12 ' HB3' ' A' ' 80' ' ' CYS . 14.9 mm -60.13 -26.26 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 116.486 -0.325 . . . . 73.33 110.919 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -74.98 -55.39 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 55.44 110.611 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -66.8 -28.4 68.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.967 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -57.04 -37.14 71.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 75.02 110.904 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.456 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.8 OUTLIER -58.43 -39.28 79.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.574 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -54.2 -32.25 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.971 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -40.39 95.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 65.13 110.729 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.612 HG23 ' CE2' ' A' ' 78' ' ' PHE . 9.9 mt -70.22 -34.1 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 64.13 110.99 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.524 ' HZ3' HG22 ' A' ' 109' ' ' VAL . 3.5 mmpt? -61.59 -35.4 77.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 71.22 110.896 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -74.52 -58.72 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.12 110.864 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.67 HG13 ' HG2' ' A' ' 73' ' ' ARG . 45.8 t -55.09 -57.56 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 64.24 111.102 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -66.02 -27.0 67.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 51.24 110.912 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.2 t70 62.33 47.19 5.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.68 139.31 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 71.3 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -71.33 -33.52 69.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 75.5 110.921 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -94.83 92.37 6.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.939 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.524 HG22 ' HZ3' ' A' ' 101' ' ' LYS . 24.6 m -121.1 152.63 57.11 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 61.43 111.013 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.31 102.9 1.43 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.614 2.21 . . . . 41.32 112.271 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.602 ' HE2' HD13 ' A' ' 100' ' ' ILE . 9.0 ptp -154.69 166.43 33.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.381 . . . . 63.44 111.098 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.696 HG13 ' HG2' ' A' ' 140' ' ' PRO . 23.5 t -144.16 151.59 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 73.24 111.086 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.9 tp -111.89 114.47 27.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.53 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.849 HG21 ' HB1' ' A' ' 155' ' ' ALA . 39.0 t -109.73 153.18 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 62.23 111.03 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -118.94 91.12 0.5 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 54.12 112.499 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.643 HD21 ' HB2' ' A' ' 146' ' ' ALA . 9.6 t-20 -71.34 177.63 3.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.333 . . . . 74.12 110.881 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.407 ' HB3' HD23 ' A' ' 120' ' ' LEU . 1.7 mttt 63.05 38.41 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.0 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 13.0 t -72.42 -24.52 61.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 72.52 110.983 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -72.97 -24.32 60.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 62.33 111.153 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.407 HD23 ' HB3' ' A' ' 117' ' ' LYS . 3.8 mm? -50.66 142.79 10.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.436 -0.347 . . . . 62.01 111.121 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.73 22.15 7.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 65.12 111.43 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.416 ' HB3' ' OD1' ' A' ' 85' ' ' ASN . . . -145.38 71.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.433 -0.349 . . . . 62.15 110.961 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.611 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -78.03 85.01 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 42.22 110.948 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 23.2 p -57.78 -33.86 68.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 72.43 110.806 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.2 t -103.59 95.09 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.114 -0.494 . . . . 62.4 110.82 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -55.04 167.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 63.14 111.012 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.1 p -63.64 -38.4 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 65.33 111.065 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -59.81 -52.7 64.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.941 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -56.02 -42.15 76.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 73.43 110.994 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.12 -31.23 64.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 70.22 111.043 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -38.71 81.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 64.11 110.864 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -34.36 71.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 71.02 110.905 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.414 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 24.2 tp -75.6 -50.47 15.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.9 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.24 82.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 73.21 111.13 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -62.52 -32.66 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.92 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -29.37 62.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 64.24 110.681 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.414 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 19.8 m-85 -86.39 -20.08 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 75.4 111.191 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.31 21.4 70.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.597 -0.811 . . . . 64.25 112.409 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 4.0 pt -114.46 156.58 44.36 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.719 0.295 . . . . 62.4 111.218 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.696 ' HG2' HG13 ' A' ' 112' ' ' VAL . 56.2 Cg_endo -70.38 149.25 62.66 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.569 2.18 . . . . 64.51 112.158 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -114.18 105.89 13.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.874 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.7 HD11 HG21 ' A' ' 158' ' ' THR . 3.1 mp -105.82 145.55 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 63.31 111.134 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -117.82 121.51 40.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.759 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 18.7 p -138.67 -179.78 6.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 75.35 111.055 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.34 128.27 16.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 72.12 110.82 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.791 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -70.66 -23.45 62.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 72.32 111.438 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.418 ' HB2' ' N1 ' ' A' ' 219' ' ' GNP . 4.9 tptt -82.56 -66.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.853 0.358 . . . . 74.24 111.07 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.8 p -68.98 -23.2 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.53 111.113 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.411 ' CD ' HG21 ' A' ' 152' ' ' VAL . 0.0 OUTLIER 63.45 65.51 0.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.003 0.43 . . . . 71.42 110.792 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.26 121.2 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 72.22 110.912 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 62.14 18.52 57.85 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 64.44 112.805 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.431 HG13 ' CD2' ' A' ' 19' ' ' LEU . 27.0 t -55.25 -55.5 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.916 0.389 . . . . 75.3 111.141 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 6.3 mt-10 -63.66 -28.63 70.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.519 . . . . 71.44 110.865 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -58.2 -47.57 83.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 71.3 110.994 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.849 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -59.98 -48.1 83.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 61.14 111.084 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -59.78 -49.14 78.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 74.04 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 19.0 m-85 -54.64 -36.99 65.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 74.44 111.018 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.7 HG21 HD11 ' A' ' 142' ' ' ILE . 3.9 m -57.04 -38.42 73.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 75.35 110.941 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.753 HD23 HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -58.86 -44.2 91.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 61.15 110.808 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.882 HG11 HG13 ' A' ' 46' ' ' ILE . 11.2 t -59.07 -41.73 84.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 71.43 111.02 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -67.64 -28.83 68.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 73.24 110.942 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.86 -49.95 33.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 73.4 110.896 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 34.3 mt -57.57 -57.56 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 120.986 0.422 . . . . 75.41 110.973 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -33.32 54.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.868 -0.605 . . . . 74.03 111.015 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -31.9 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.756 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 81.0 t60 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.254 -0.879 . . . . 73.51 110.82 179.904 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.418 ' N1 ' ' HB2' ' A' ' 147' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 252' ' ' HOH . . . . . 0.431 ' O ' ' CD ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.629 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.787 0.327 . . . . 64.33 111.19 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.444 HG22 ' HB3' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -92.74 149.66 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 63.15 110.774 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.42 108.8 20.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.865 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -98.9 124.3 43.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -98.41 97.2 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 75.52 110.656 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.965 HD23 HD23 ' A' ' 159' ' ' LEU . 0.6 OUTLIER -90.8 123.5 34.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 75.54 111.039 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.433 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 87.0 t -113.66 102.26 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 74.41 111.057 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.466 HG12 ' HG3' ' A' ' 16' ' ' LYS . 12.8 t -85.02 143.07 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.417 . . . . 54.55 110.949 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 79' ' ' LEU . 11.2 m -113.18 160.3 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 73.31 111.098 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.92 148.16 19.78 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.806 -0.711 . . . . 53.42 112.394 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.06 -17.61 13.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.68 0.276 . . . . 70.14 111.394 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.06 76.7 0.52 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.767 -0.73 . . . . 53.1 112.427 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.64 35.33 2.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 75.41 112.44 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.49 -26.37 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 72.25 111.201 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.4 25.09 7.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 31.52 112.488 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HG3' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -60.34 -58.37 8.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.868 0.365 . . . . 63.22 110.791 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -30.13 70.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 54.11 111.018 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.83 70.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.1 111.115 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.43 HD23 HG13 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -61.41 -36.36 80.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 73.21 110.936 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.447 HG23 HG22 ' A' ' 55' ' ' ILE . 62.7 m -58.38 -50.43 73.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 55.34 111.077 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.85 -32.11 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 73.31 110.779 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -64.38 -37.61 88.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 43.31 110.674 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.579 HD12 ' CD2' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -76.65 -15.26 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 73.42 111.322 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mm -106.56 -69.58 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.758 0.314 . . . . 73.55 111.524 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -84.82 -26.83 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 74.53 111.308 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 65.68 75.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 72.4 110.939 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.82 155.93 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 71.32 110.662 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.36 110.85 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 73.41 110.658 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.684 HG22 ' CD1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -55.69 147.4 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 74.0 111.382 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 t0 178.68 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 63.3 110.765 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -94.2 50.31 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 64.22 111.043 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.684 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -145.94 177.36 9.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.934 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.84 147.94 34.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 74.55 110.787 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.86 -37.43 6.56 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.571 2.181 . . . . 75.33 112.445 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.98 106.67 8.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 71.24 111.098 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.2 pp -151.97 166.66 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.536 . . . . 73.22 111.434 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.47 26.21 10.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.884 -0.598 . . . . 73.52 111.148 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.29 56.59 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 70.15 110.708 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.4 p -55.37 152.88 7.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 45.15 111.069 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.89 156.88 37.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 72.0 110.773 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.84 115.09 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 73.11 110.899 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -106.18 149.47 26.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 73.52 110.849 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -100.93 120.23 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 63.23 110.967 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.408 HG22 ' HG ' ' A' ' 53' ' ' LEU . 14.0 m -133.63 178.01 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.401 . . . . 74.31 111.085 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 45' ' ' VAL . 7.9 p -119.46 102.74 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 63.54 111.155 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.907 HG13 HG11 ' A' ' 160' ' ' VAL . 5.3 mm -86.7 116.07 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 54.5 111.118 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 57.9 31.95 21.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 74.5 111.06 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.68 3.82 85.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 71.55 112.854 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -109.13 107.13 17.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.873 0.368 . . . . 73.15 110.768 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -58.8 119.84 7.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.867 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.444 ' HB3' HG22 ' A' ' 2' ' ' THR . 51.8 m -147.36 148.66 31.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 43.05 110.927 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.629 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -79.02 150.16 32.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 64.43 110.939 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' HG22 ' A' ' 44' ' ' VAL . 22.7 mt -126.59 87.69 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 72.52 110.854 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -81.58 92.12 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 71.03 110.943 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.804 HD13 HD13 ' A' ' 6' ' ' LEU . 23.4 mm -82.63 109.19 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 75.32 111.175 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.15 135.39 46.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 71.44 110.919 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' OD2' HD11 ' A' ' 36' ' ' ILE . 18.0 t70 -114.31 69.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.799 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.2 p -75.25 -173.76 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 72.11 110.759 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.45 144.03 26.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 61.12 111.192 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.53 -81.64 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.677 -0.773 . . . . 74.53 112.465 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -141.45 98.14 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.733 0.302 . . . . 75.41 110.998 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -130.02 28.84 5.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 72.11 111.007 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 58.12 53.75 6.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 53.34 110.966 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -135.95 107.28 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 75.52 110.924 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -115.59 -12.32 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 71.43 111.445 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.26 -50.95 63.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.775 0.322 . . . . 74.1 111.227 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 16.2 ptp -72.99 -26.72 61.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 73.42 111.083 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -55.56 -28.13 53.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.395 -0.366 . . . . 70.45 111.15 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -78.5 -29.46 46.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 55.31 111.065 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 74' ' ' THR . 4.2 pt20 -76.26 -34.36 59.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.777 0.322 . . . . 73.45 110.954 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -78.42 -56.83 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 75.01 110.773 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.5 mtt -51.72 -48.44 63.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 62.31 110.874 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -60.81 -22.16 63.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 72.35 110.94 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 70' ' ' GLN . 53.8 p -103.4 -1.14 29.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.47 . . . . 65.23 111.371 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.433 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -92.22 130.03 10.12 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.629 -0.796 . . . . 74.04 112.907 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.02 -22.4 58.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 73.31 110.677 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 179.56 30.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.873 -0.68 . . . . 74.32 112.192 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.433 ' CD1' ' HB ' ' A' ' 7' ' ' VAL . 93.1 m-85 -148.9 136.4 20.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 73.42 110.928 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.607 HD12 HD22 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -117.17 125.22 50.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 72.13 110.784 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.513 ' O ' HD12 ' A' ' 113' ' ' LEU . 16.5 m -97.09 115.53 27.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 64.31 110.925 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.8 t -102.6 109.06 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 61.05 111.216 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.66 141.89 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 63.35 110.611 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.28 123.64 34.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 73.44 111.164 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.637 HD12 ' HB2' ' A' ' 123' ' ' ARG . 6.8 pt -65.14 -28.96 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 61.13 110.781 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' HG13 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -82.2 -31.05 30.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 42.24 110.584 179.764 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.18 103.53 13.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 71.24 110.991 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.448 HG23 HG22 ' A' ' 125' ' ' VAL . 11.0 m -66.86 -26.04 66.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.907 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -56.82 -49.9 74.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 70.52 111.138 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 p -54.45 -38.38 66.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 41.01 111.043 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -57.33 -29.0 63.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 64.55 110.904 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.87 -41.75 51.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.835 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.61 -32.24 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.842 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.429 HD12 ' HB3' ' A' ' 80' ' ' CYS . 11.0 mm -63.92 -25.75 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 116.352 -0.385 . . . . 75.33 110.747 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -75.86 -50.51 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.616 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -28.94 62.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.15 111.031 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.6 -41.36 98.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 74.3 110.805 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.433 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 59.9 ttt-85 -60.34 -42.06 94.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 63.53 110.807 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.45 -27.54 68.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 72.44 111.195 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -38.29 83.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.331 -0.395 . . . . 74.15 110.971 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.588 HD12 ' HE1' ' A' ' 111' ' ' MET . 63.8 mt -60.93 -58.9 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 75.13 110.978 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -53.71 -37.92 63.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 74.15 111.07 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -57.54 -58.02 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 62.34 111.187 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 p -72.14 -30.9 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 62.24 111.409 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.421 ' HG3' HG22 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -77.74 -19.12 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 62.53 111.218 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 t70 65.8 48.45 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 74.4 110.729 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.48 122.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.906 -0.588 . . . . 74.32 110.737 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.48 -25.17 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 72.34 111.156 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -102.55 99.95 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.368 -0.378 . . . . 62.12 111.165 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.518 HG21 ' CG2' ' A' ' 100' ' ' ILE . 28.1 m -125.74 153.14 73.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 51.22 110.994 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.64 102.05 1.25 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.582 2.188 . . . . 74.44 112.35 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.588 ' HE1' HD12 ' A' ' 100' ' ' ILE . 16.8 ptp -147.11 168.46 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 54.34 110.944 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.685 HG13 ' HG2' ' A' ' 140' ' ' PRO . 41.6 t -143.77 147.72 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 64.14 111.196 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.574 HD23 ' HB2' ' A' ' 134' ' ' ALA . 13.9 tp -107.62 131.2 54.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 75.41 110.765 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 1.021 HG21 ' HB1' ' A' ' 155' ' ' ALA . 57.4 t -128.18 152.28 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 63.04 111.165 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.26 88.36 0.48 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.909 -0.662 . . . . 42.41 112.351 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -67.38 171.94 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 50.32 111.137 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.1 mttp 63.84 41.9 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 73.13 110.952 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 26.3 t -83.24 -16.29 47.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.54 111.213 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -84.89 -19.25 32.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.51 -0.314 . . . . 65.51 111.349 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.93 178.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.714 0.292 . . . . 45.13 111.166 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.61 23.74 7.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 72.42 111.321 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.4 74.55 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 61.21 110.99 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.637 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -84.5 114.99 22.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 41.14 110.795 -179.78 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 36.7 p -89.1 -65.05 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 71.22 110.657 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.448 HG22 HG23 ' A' ' 87' ' ' THR . 39.3 t -70.65 99.47 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.894 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.09 156.08 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 73.13 111.186 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.8 t -55.35 -28.3 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 72.12 110.913 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.51 -52.19 65.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.273 -0.421 . . . . 72.21 110.741 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.5 -47.44 85.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.123 -0.489 . . . . 73.22 110.851 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.71 99.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 52.2 111.035 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.49 -35.76 77.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 75.41 110.921 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.26 -31.27 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 61.34 110.823 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.409 HD23 HD21 ' A' ' 113' ' ' LEU . 13.1 tp -80.35 -51.45 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 50.53 110.927 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.574 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -62.06 -43.47 98.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 64.33 111.114 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -63.19 -29.3 70.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 65.42 111.132 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.4 m -73.96 -34.86 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.871 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 20.5 m-85 -79.33 -15.57 57.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 74.11 111.222 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.69 19.34 71.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.665 -0.778 . . . . 63.11 112.564 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.49 HG21 ' HG3' ' A' ' 111' ' ' MET . 19.2 pt -112.53 154.6 44.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 73.05 111.296 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.685 ' HG2' HG13 ' A' ' 112' ' ' VAL . 43.5 Cg_endo -67.89 150.48 78.37 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.557 2.171 . . . . 61.11 112.305 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -119.27 116.9 27.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 65.42 110.913 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.884 HD11 HG21 ' A' ' 158' ' ' THR . 2.0 mp -117.06 150.64 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 74.33 111.088 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -113.61 127.72 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 73.33 110.746 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 151' ' ' GLY . 10.7 p -140.3 175.79 9.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.942 0.401 . . . . 71.32 111.161 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.6 t -150.52 124.57 9.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 30.22 110.646 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.07 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 55.01 111.54 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.415 ' HB2' ' N1 ' ' A' ' 219' ' ' GNP . 55.9 tptt -68.19 -66.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 74.13 111.161 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 14.9 t -83.51 -19.59 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.476 -0.329 . . . . 64.44 111.517 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 70.1 37.3 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 70.33 110.737 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.38 126.18 31.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 74.4 110.962 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.528 ' O ' HG22 ' A' ' 144' ' ' THR . . . 55.11 24.7 36.62 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.929 -0.653 . . . . 72.34 112.821 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.43 HG13 HD23 ' A' ' 19' ' ' LEU . 2.3 t -60.7 -55.3 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-O 120.872 0.368 . . . . 54.51 110.688 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.02 -31.38 72.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 51.33 110.68 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -45.34 83.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 72.24 110.958 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 1.021 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -58.27 -47.74 82.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 53.33 111.267 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.579 ' CD2' HD12 ' A' ' 23' ' ' LEU . 70.2 m-85 -72.73 -44.74 61.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 73.4 110.967 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -56.68 -35.49 68.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 55.53 110.979 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.884 HG21 HD11 ' A' ' 142' ' ' ILE . 92.4 m -60.07 -36.88 78.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 63.23 110.919 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.965 HD23 HD23 ' A' ' 6' ' ' LEU . 34.1 tp -67.59 -30.64 70.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.831 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.907 HG11 HG13 ' A' ' 46' ' ' ILE . 21.9 t -58.13 -39.42 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 74.41 111.044 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -76.36 -28.9 56.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 64.24 110.872 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -70.32 -48.35 56.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.013 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.48 -39.76 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 116.367 -0.379 . . . . 60.33 111.266 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -44.73 89.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.409 . . . . 62.01 110.957 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -55.51 -29.96 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 62.23 111.051 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.192 -0.908 . . . . 74.33 110.889 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.651 H5'1 ' O1B' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.814 0.34 . . . . 64.54 111.289 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.09 149.76 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.714 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -110.57 122.97 49.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 61.31 110.866 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -107.48 134.46 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.949 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -112.22 92.08 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 73.22 110.555 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.724 HD22 HD12 ' A' ' 159' ' ' LEU . 9.7 mt -88.81 131.98 34.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.13 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.404 HG21 ' HA3' ' A' ' 75' ' ' GLY . 95.9 t -104.91 107.79 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 64.43 111.008 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -91.81 139.27 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 73.23 111.065 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 79' ' ' LEU . 4.5 m -117.71 175.28 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 53.33 111.047 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.29 154.0 23.04 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 63.31 112.48 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.85 16.53 13.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 65.02 111.439 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.407 ' O ' ' O1B' ' A' ' 219' ' ' GNP . . . 90.65 -15.06 61.29 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.649 -0.786 . . . . 74.11 112.938 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.1 50.62 0.47 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.575 -0.822 . . . . 32.3 112.7 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -117.45 -8.29 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.668 0.247 . . . . 51.35 111.668 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.98 32.95 42.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.66 -0.781 . . . . 72.34 112.573 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -30.87 69.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.772 0.32 . . . . 61.31 110.948 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.54 -36.46 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 73.45 110.904 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -58.64 -59.57 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 63.35 111.134 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.565 HD21 HG11 ' A' ' 81' ' ' VAL . 2.8 pp -56.41 -26.72 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 70.34 110.986 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.847 HG23 HG21 ' A' ' 55' ' ' ILE . 75.8 m -71.66 -58.88 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 74.14 110.83 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.51 HG13 HG23 ' A' ' 29' ' ' VAL . 45.0 mm -58.82 -30.44 42.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 74.13 111.117 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 11.2 mm-40 -65.07 -44.75 87.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 73.42 110.645 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.706 HD13 ' CD2' ' A' ' 156' ' ' PHE . 0.6 OUTLIER -76.78 -2.91 35.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 63.33 111.449 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.0 mm -114.83 -65.83 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.839 0.352 . . . . 74.44 111.399 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.06 20.98 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 71.04 111.844 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 3.0 p-10 42.03 32.45 0.3 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.792 0.33 . . . . 52.53 111.484 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -136.24 153.24 51.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.482 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.481 ' HE2' HO2' ' A' ' 219' ' ' GNP . 24.7 t80 -53.58 -85.17 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.224 -0.444 . . . . 74.42 111.019 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.51 HG23 HG13 ' A' ' 21' ' ' ILE . 1.3 p 178.94 148.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.763 0.316 . . . . 61.24 110.983 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 6.4 t70 173.7 -36.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 71.02 110.491 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -94.92 72.93 3.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.521 . . . . 62.2 110.887 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -139.98 158.33 44.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 74.44 110.839 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.11 150.02 40.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 61.21 110.931 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.89 104.47 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.564 2.176 . . . . 75.14 112.158 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.464 ' HA ' ' HB2' ' A' ' 59' ' ' ALA . 0.9 OUTLIER 62.17 103.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 63.01 110.79 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.503 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.3 pp -154.72 170.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 63.25 111.447 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -118.74 26.73 9.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.821 -0.627 . . . . 73.45 111.186 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -82.45 58.23 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.996 0.427 . . . . 75.21 110.657 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.9 p -54.21 153.9 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 73.34 111.189 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -104.74 150.71 24.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 75.4 110.747 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -128.25 106.46 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.889 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' O ' HD13 ' A' ' 52' ' ' LEU . 9.1 tttm -114.14 146.08 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 61.12 110.819 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -102.9 117.53 34.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.951 -0.568 . . . . 64.24 110.624 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 53' ' ' LEU . 33.0 m -127.69 177.79 5.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 71.52 111.156 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.34 100.9 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.096 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.888 HG13 HG11 ' A' ' 160' ' ' VAL . 16.6 mm -81.56 99.66 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 62.24 111.166 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 t70 57.32 31.98 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.06 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.63 -28.26 16.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.73 -0.748 . . . . 74.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.75 113.0 15.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 63.5 110.951 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.6 m -78.67 121.79 25.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 55.23 110.85 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.8 m -151.23 150.4 30.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 54.05 111.019 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -78.62 150.43 32.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 53.22 110.467 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.555 HD11 HG21 ' A' ' 44' ' ' VAL . 45.7 mt -123.59 96.97 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 72.14 111.013 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.92 100.55 13.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.802 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.847 HG21 HG23 ' A' ' 20' ' ' THR . 22.2 mm -93.09 110.46 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 61.21 111.074 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.544 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -92.26 117.15 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.11 110.577 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -99.15 107.95 20.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.22 110.875 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.544 HG22 HD21 ' A' ' 56' ' ' LEU . 6.4 p -93.09 -173.82 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 64.41 110.797 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 35' ' ' SER . . . -108.57 147.41 31.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 75.42 111.109 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.37 13.29 21.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.642 -0.789 . . . . 55.42 112.65 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -138.56 -172.3 3.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.818 0.342 . . . . 65.51 110.696 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 63.58 17.43 10.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 75.03 111.2 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 52.89 86.15 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.865 0.364 . . . . 73.45 111.179 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -126.39 121.67 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 75.14 110.84 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.5 p -135.97 -45.16 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 62.23 111.081 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.73 -46.47 70.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 72.52 111.312 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.91 -35.29 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 73.23 110.785 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -59.6 -39.24 83.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 61.11 110.846 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -70.37 -31.22 68.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.511 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -63.5 -42.26 98.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 73.24 110.583 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -69.03 -30.77 69.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.009 -0.541 . . . . 72.34 111.083 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.606 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.1 mtt -62.49 -58.19 8.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.796 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 50.0 mtp85 -55.67 -27.06 47.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 73.32 110.957 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.9 p -106.42 19.33 20.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 65.34 111.202 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.404 ' HA3' HG21 ' A' ' 7' ' ' VAL . . . -108.94 113.65 3.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.608 -0.806 . . . . 53.55 112.635 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.23 -29.44 68.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.864 0.364 . . . . 71.43 110.819 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.43 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -149.73 -173.3 20.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.938 -0.648 . . . . 74.51 112.239 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -151.58 136.55 17.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 74.42 111.169 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.976 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -120.5 124.69 46.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 75.45 110.807 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.877 ' HB3' HD12 ' A' ' 93' ' ' ILE . 58.3 m -98.49 108.46 21.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.875 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.565 HG11 HD21 ' A' ' 19' ' ' LEU . 41.2 t -100.76 119.37 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 61.44 111.159 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.56 144.44 46.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.714 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.22 127.94 36.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.406 . . . . 74.23 111.178 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.871 HD12 ' CB ' ' A' ' 123' ' ' ARG . 5.6 pt -59.63 -30.85 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 63.31 110.976 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -79.65 -3.32 46.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 64.23 111.335 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -122.67 100.62 7.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.854 0.359 . . . . 73.41 110.917 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -63.85 -26.72 68.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 73.23 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -66.4 -42.08 88.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 73.43 110.595 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.1 m -60.93 -38.2 84.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 73.54 110.85 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -60.77 -49.38 77.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 71.13 110.852 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.8 -29.73 68.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 64.23 110.97 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' A' ' 95' ' ' GLN . 8.1 m-20 -70.52 -31.4 68.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 70.11 110.923 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.877 HD12 ' HB3' ' A' ' 80' ' ' CYS . 33.3 mm -61.5 -29.51 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 43.31 110.702 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -71.27 -52.83 16.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 54.21 110.706 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -71.99 -28.38 63.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 74.44 111.049 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 1.8 m-85 -64.22 -53.68 45.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 73.12 111.002 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.544 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -56.55 -35.69 68.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 74.52 111.155 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -59.86 -33.43 71.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 73.32 110.941 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -33.35 75.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 65.35 110.872 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.677 HD13 ' HE3' ' A' ' 111' ' ' MET . 33.5 mt -68.17 -44.14 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.99 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -58.63 -28.53 65.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 72.12 110.924 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -74.41 -58.23 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.932 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.606 HG11 ' HB2' ' A' ' 72' ' ' MET . 41.6 t -58.54 -58.59 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.86 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -61.0 -24.35 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 72.33 110.879 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.1 t0 63.15 35.09 13.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 62.1 110.7 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.08 138.14 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 73.34 110.914 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -71.38 -29.05 64.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.889 -0.596 . . . . 61.25 110.671 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.02 100.25 11.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.758 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.529 HG13 ' HD2' ' A' ' 110' ' ' PRO . 59.7 t -139.21 137.06 18.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.762 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.529 ' HD2' HG13 ' A' ' 109' ' ' VAL . 58.5 Cg_endo -72.32 102.82 1.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.758 2.306 . . . . 72.34 112.379 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.814 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -146.17 163.73 34.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 61.13 111.066 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.586 HG23 HD22 ' A' ' 159' ' ' LEU . 43.7 t -141.95 146.86 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 73.44 111.231 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.602 HD22 HG21 ' A' ' 93' ' ' ILE . 7.7 tp -107.69 111.85 24.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 75.34 110.742 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.758 HG22 ' HB1' ' A' ' 155' ' ' ALA . 15.9 t -98.68 144.53 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 72.14 111.268 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.1 80.06 0.26 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.76 -0.733 . . . . 74.24 112.414 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.544 HD21 ' HB2' ' A' ' 146' ' ' ALA . 4.5 t-20 -63.12 174.61 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 63.24 110.978 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.467 ' HB3' HD23 ' A' ' 120' ' ' LEU . 2.0 mttp 61.74 48.85 5.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 73.54 110.933 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.1 t -82.26 -6.27 59.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 71.54 111.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -97.24 -22.4 16.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.644 0.259 . . . . 72.41 111.087 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.474 HD21 ' N2 ' ' A' ' 219' ' ' GNP . 3.8 mm? -48.84 133.98 17.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.49 -0.323 . . . . 51.25 111.09 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.41 26.48 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 74.04 111.313 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.83 36.9 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.428 -0.351 . . . . 71.31 111.109 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.871 ' CB ' HD12 ' A' ' 84' ' ' ILE . 12.1 ptm180 -55.86 128.59 35.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 73.33 110.976 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.9 p -98.63 -38.19 9.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.813 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 50.2 t -105.56 94.18 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.098 -0.501 . . . . 74.02 111.077 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.71 158.57 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.303 -0.408 . . . . 72.41 110.882 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.0 p -58.88 -23.71 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 45.45 111.106 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -62.81 -52.92 61.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 73.1 110.959 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.59 -35.36 78.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.976 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.0 70.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 72.33 111.216 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -40.62 94.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 72.32 110.869 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.41 -46.31 83.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 73.52 110.942 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.556 HD13 ' C ' ' A' ' 133' ' ' LEU . 3.0 tm? -62.57 -51.04 68.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 74.32 111.023 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.415 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -65.47 -38.02 88.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 54.51 111.219 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -65.05 -27.45 68.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 64.33 111.105 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.91 -28.92 61.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 71.03 110.775 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.552 ' HE2' HD11 ' A' ' 133' ' ' LEU . 21.0 m-85 -85.35 -21.48 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 74.14 111.177 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.46 15.52 63.89 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.632 -0.794 . . . . 51.45 112.627 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.814 HG21 ' HG2' ' A' ' 111' ' ' MET . 22.0 pt -107.17 152.49 41.14 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 120.719 0.295 . . . . 72.45 111.297 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.433 ' HG2' HG13 ' A' ' 112' ' ' VAL . 37.6 Cg_endo -66.24 155.5 69.52 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.538 2.159 . . . . 62.1 112.255 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -130.56 117.94 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 75.11 110.862 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.844 HD11 HG21 ' A' ' 158' ' ' THR . 5.1 mp -122.05 144.63 30.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 55.04 110.909 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -111.21 127.82 55.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 72.55 110.671 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 23.6 p -139.84 179.24 6.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 74.42 111.158 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 p -141.43 119.39 11.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.933 -0.576 . . . . 55.12 110.661 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.544 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -74.23 -22.85 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 54.35 111.483 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -86.2 -45.29 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 65.3 111.178 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.09 -12.54 30.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 73.32 111.448 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.507 ' HD3' HG21 ' A' ' 152' ' ' VAL . 1.1 tpt85 57.39 73.77 0.45 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.912 0.386 . . . . 63.11 110.901 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -125.08 113.47 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 43.03 110.839 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 57.52 20.29 37.56 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 32.12 112.763 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.507 HG21 ' HD3' ' A' ' 149' ' ' ARG . 33.2 t -54.78 -55.22 16.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.873 0.368 . . . . 45.41 111.061 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.611 ' HG2' HD12 ' A' ' 23' ' ' LEU . 82.4 mt-10 -60.12 -25.76 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 72.44 110.797 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -57.72 -52.17 66.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 70.3 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.758 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -57.99 -45.06 87.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 64.43 111.123 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.706 ' CD2' HD13 ' A' ' 23' ' ' LEU . 12.4 m-85 -58.81 -52.01 67.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.971 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.72 -31.42 58.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.119 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.844 HG21 HD11 ' A' ' 142' ' ' ILE . 2.5 m -59.25 -40.25 85.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 41.44 110.826 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.976 HD23 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -59.32 -42.75 92.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 74.41 110.929 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.888 HG11 HG13 ' A' ' 46' ' ' ILE . 11.3 t -60.38 -40.61 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 72.32 110.978 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -68.42 -30.33 69.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 74.24 110.91 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.97 -48.91 61.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 52.32 110.933 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 76.7 mt -57.74 -52.66 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.223 -0.444 . . . . 73.45 111.354 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -37.38 36.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 64.03 111.152 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -60.64 -31.55 70.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.823 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.251 -0.88 . . . . 61.32 110.795 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.522 ' O1G' ' PA ' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.623 ' SD ' HD23 ' A' ' 52' ' ' LEU . 31.7 ttm . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.938 0.399 . . . . 51.34 111.13 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.84 149.71 52.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.079 -0.51 . . . . 75.41 110.601 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -94.78 118.51 31.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 71.41 110.777 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -107.27 105.86 16.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 74.42 111.017 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.2 104.75 8.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 71.02 110.731 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.765 HD13 HD13 ' A' ' 55' ' ' ILE . 0.6 OUTLIER -96.42 127.3 42.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 70.13 111.146 -179.748 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.422 HG23 ' HA3' ' A' ' 75' ' ' GLY . 89.6 t -106.27 107.57 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.923 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.0 t -86.55 139.45 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 55.34 111.082 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.49 166.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 70.41 111.085 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.4 -73.36 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.686 -0.768 . . . . 23.13 112.568 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.533 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . -176.59 -172.44 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 73.42 111.089 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.95 28.13 16.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 74.33 112.472 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.2 44.61 0.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.841 -0.695 . . . . 71.2 112.357 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.533 HG13 ' HB3' ' A' ' 11' ' ' ALA . 3.6 m -111.01 -25.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 34.24 111.436 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.471 ' HA2' ' O2A' ' A' ' 219' ' ' GNP . . . 112.45 23.27 5.49 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.707 -0.759 . . . . 65.44 112.311 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.82 -46.51 81.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 71.13 111.055 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.529 ' O ' HD12 ' A' ' 21' ' ' ILE . 14.5 m -56.82 -51.4 69.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 61.44 110.976 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.711 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -58.32 -40.69 82.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 62.21 111.083 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.715 HD23 HG13 ' A' ' 152' ' ' VAL . 2.9 mt -63.34 -42.1 98.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 70.34 110.994 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.675 HG23 ' CG2' ' A' ' 55' ' ' ILE . 84.9 m -66.08 -46.71 76.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 75.22 111.131 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 17' ' ' SER . 1.5 mp -65.59 -34.43 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.315 -0.402 . . . . 73.53 110.9 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.536 ' CB ' HG11 ' A' ' 152' ' ' VAL . 29.1 mm-40 -59.65 -39.59 84.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.357 -0.383 . . . . 62.5 110.713 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -76.64 -5.8 49.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 75.32 111.298 179.803 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.1 mm -116.45 -71.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.7 0.286 . . . . 74.41 111.399 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -83.49 -24.91 31.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.02 111.261 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 69.63 69.15 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 70.44 111.202 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.44 ' CE1' HG21 ' A' ' 21' ' ' ILE . 1.6 p-80 -173.77 162.55 4.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 63.5 110.602 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -56.09 -78.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 74.1 111.168 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.1 t 173.2 134.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.773 0.32 . . . . 65.3 110.781 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 t70 179.46 -38.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.775 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -99.22 60.27 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 75.32 111.05 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -136.49 145.7 45.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.41 110.83 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.59 146.61 41.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 71.32 110.926 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.21 -168.01 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.58 2.187 . . . . 63.22 112.345 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.6 m 60.56 42.46 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 72.4 110.925 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.6 pt -146.72 172.4 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 74.25 111.189 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -87.32 -5.74 58.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 71.22 111.347 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.96 24.9 13.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.796 0.331 . . . . 73.1 111.09 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.0 t -97.82 143.94 27.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 74.22 110.884 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -137.01 174.3 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.987 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -143.59 113.9 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 72.45 110.815 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -119.52 147.44 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 53.21 111.072 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -106.76 118.89 37.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.976 -0.556 . . . . 72.31 110.703 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 53' ' ' LEU . 35.9 m -134.15 178.51 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 71.34 111.211 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -121.21 100.82 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 73.33 111.21 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.761 HD12 HG11 ' A' ' 160' ' ' VAL . 36.2 mt -115.98 133.51 62.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.895 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t0 67.19 31.47 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 54.1 110.786 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.65 31.12 78.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 74.11 112.649 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -147.54 113.85 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 62.14 110.802 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.8 m -60.24 123.69 17.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 71.1 110.773 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 97.8 m -145.66 144.03 30.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 73.2 110.99 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.623 HD23 ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -78.46 143.35 36.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.125 -0.489 . . . . 64.41 110.791 179.81 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.458 HD11 HG21 ' A' ' 44' ' ' VAL . 60.3 mt -119.66 104.61 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 53.11 110.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -90.96 96.55 10.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 74.41 110.814 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.765 HD13 HD13 ' A' ' 6' ' ' LEU . 14.5 mm -86.46 108.71 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 71.21 111.061 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.542 HD21 HG22 ' A' ' 58' ' ' THR . 2.6 tt -102.58 131.93 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 72.52 110.756 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.47 104.35 9.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.649 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.542 HG22 HD21 ' A' ' 56' ' ' LEU . 8.1 p -75.4 -175.85 2.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 75.55 110.925 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.3 154.02 39.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 73.13 111.176 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.84 69.49 0.99 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.694 -0.765 . . . . 73.21 112.507 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.33 134.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.924 0.392 . . . . 70.04 110.837 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 178.98 -174.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 65.13 110.681 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -92.78 39.6 1.04 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 74.1 111.031 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.98 41.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 74.13 110.83 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.85 -26.81 37.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 72.43 111.189 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.14 -55.56 26.54 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 71.34 111.225 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.0 mmt -83.9 -25.86 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.938 -0.573 . . . . 63.31 111.041 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -58.29 -37.86 75.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 73.31 110.791 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.32 -29.32 63.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 71.35 110.782 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -67.46 -50.81 57.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 74.21 110.735 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -55.81 -40.61 72.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 74.1 111.262 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mtt -59.76 -55.65 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 61.11 110.881 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.452 ' CG ' HG13 ' A' ' 103' ' ' VAL . 7.7 mtt-85 -61.88 -19.33 62.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 62.34 111.287 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.4 p -104.04 -2.57 25.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.511 -0.313 . . . . 73.0 111.533 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.422 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -101.62 122.34 7.53 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.527 -0.845 . . . . 20.34 112.672 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.1 -29.93 70.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 73.3 110.748 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.34 -167.07 12.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.92 -0.657 . . . . 53.05 112.32 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.488 ' CE2' HG23 ' A' ' 100' ' ' ILE . 96.6 m-85 -151.34 139.16 19.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.919 0.39 . . . . 73.33 111.124 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.816 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -120.41 123.24 42.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 72.53 110.666 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.823 ' HB3' HD12 ' A' ' 93' ' ' ILE . 48.4 m -100.87 114.41 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 73.14 111.027 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.481 HG11 HD12 ' A' ' 19' ' ' LEU . 62.4 t -109.09 110.24 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 64.41 111.093 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.401 ' CD1' HD11 ' A' ' 113' ' ' LEU . 3.0 p90 -123.11 143.2 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 64.02 110.519 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.04 123.68 31.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 70.43 111.078 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.914 HD12 ' HB3' ' A' ' 123' ' ' ARG . 7.3 pt -57.28 -31.66 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 71.05 111.088 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -75.07 -31.62 61.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.576 . . . . 72.15 111.051 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -101.26 104.69 15.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 63.51 111.049 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.511 HG23 HG22 ' A' ' 125' ' ' VAL . 7.4 m -68.52 -21.72 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 75.52 111.022 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -61.39 -43.77 98.3 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.389 -0.369 . . . . 54.21 110.866 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -59.11 -38.83 80.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.296 -0.411 . . . . 54.53 110.823 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.424 ' CE1' HD22 ' A' ' 133' ' ' LEU . 25.0 t80 -60.16 -28.79 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 75.31 110.861 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -71.88 -34.04 68.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 63.43 110.983 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.3 -32.62 66.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 74.42 110.87 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.823 HD12 ' HB3' ' A' ' 80' ' ' CYS . 29.3 mm -59.61 -25.57 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 71.12 111.021 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -77.94 -55.37 5.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 64.31 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -28.42 68.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 71.53 111.013 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.32 -44.34 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.356 . . . . 74.23 110.854 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -43.13 82.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 63.24 110.915 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.92 -38.49 79.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 62.31 110.921 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -38.73 86.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.7 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.488 HG23 ' CE2' ' A' ' 78' ' ' PHE . 61.7 mt -65.47 -50.84 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 62.32 110.856 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -40.46 58.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 73.01 110.933 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -58.9 5.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.225 -0.443 . . . . 71.24 111.04 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.452 HG13 ' CG ' ' A' ' 73' ' ' ARG . 72.6 t -56.73 -59.46 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 64.24 111.085 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.6 OUTLIER -59.61 -23.22 62.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 54.31 110.763 179.76 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.1 t0 63.15 42.84 6.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 74.03 110.829 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.28 137.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.517 . . . . 73.51 110.938 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.31 -32.08 73.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.814 -0.63 . . . . 73.25 110.769 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -76.64 96.94 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 64.11 110.661 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.501 HG13 ' HD2' ' A' ' 110' ' ' PRO . 48.4 t -135.88 136.44 23.28 Favored Pre-proline 0 N--CA 1.453 -0.297 0 CA-C-N 116.218 -0.446 . . . . 72.11 110.946 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.501 ' HD2' HG13 ' A' ' 109' ' ' VAL . 57.6 Cg_endo -73.05 101.06 1.29 Allowed 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.741 2.294 . . . . 73.44 112.164 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.513 ' HG3' HG21 ' A' ' 139' ' ' ILE . 18.3 ptp -141.73 165.89 26.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 55.32 111.103 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.595 HG23 HD22 ' A' ' 159' ' ' LEU . 57.6 t -142.19 146.44 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 40.31 110.936 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 80' ' ' CYS . 8.1 tp -109.44 107.0 16.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 64.52 110.901 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.759 HG22 ' HB1' ' A' ' 155' ' ' ALA . 17.5 t -94.43 150.52 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 74.2 111.17 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -121.32 84.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.819 -0.705 . . . . 53.12 112.38 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.502 HD21 ' HB2' ' A' ' 146' ' ' ALA . 1.7 t-20 -66.83 172.85 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 74.03 111.035 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.674 ' HB3' HD11 ' A' ' 120' ' ' LEU . 0.3 OUTLIER 57.54 67.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 73.52 111.032 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.9 t -110.34 -19.55 12.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 64.53 111.114 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.93 -54.9 23.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.429 -0.35 . . . . 72.43 111.077 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.823 HD12 ' N2 ' ' A' ' 219' ' ' GNP . 0.0 OUTLIER -53.79 162.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 63.13 111.147 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.81 39.9 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 63.03 111.106 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -131.44 60.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 71.14 110.977 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.914 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -91.36 146.12 24.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 75.51 111.134 -179.806 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.4 p -108.43 -39.66 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.617 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.511 HG22 HG23 ' A' ' 87' ' ' THR . 38.7 t -95.47 101.22 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 61.43 110.967 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -55.78 161.69 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 71.14 111.128 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.7 t -61.4 -42.99 99.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 65.2 111.092 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -54.14 -46.11 72.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.92 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -60.19 -41.7 93.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.889 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.7 -30.46 64.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 53.12 110.959 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -73.14 -35.07 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 63.24 110.896 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.88 -31.86 72.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 60.21 110.913 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.424 HD22 ' CE1' ' A' ' 90' ' ' PHE . 14.6 tp -78.68 -51.41 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 72.51 110.979 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.18 -51.43 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 54.35 111.113 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -58.29 -25.34 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 72.24 111.093 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.51 -28.98 59.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 72.23 110.794 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.411 ' HB2' HG12 ' A' ' 139' ' ' ILE . 25.3 m-85 -94.52 -5.06 46.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 74.24 111.42 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.84 23.83 77.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 55.34 112.486 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.513 HG21 ' HG3' ' A' ' 111' ' ' MET . 17.6 pt -111.94 154.16 44.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 75.33 111.354 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.51 167.36 22.78 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.608 2.205 . . . . 72.53 112.369 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -143.55 106.81 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 60.53 110.784 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.956 HD11 HG21 ' A' ' 158' ' ' THR . 2.2 mp -112.71 153.69 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 65.31 111.088 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -120.2 139.09 53.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 74.43 110.951 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 151' ' ' GLY . 16.3 p -147.81 -177.9 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 73.4 110.989 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.8 p -146.03 114.59 6.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 53.43 110.709 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.711 ' HB1' ' CB ' ' A' ' 18' ' ' ALA . . . -66.32 -19.19 65.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 62.44 111.451 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -83.0 -66.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.501 -0.318 . . . . 55.22 111.092 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.8 p -75.43 -20.61 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 65.34 111.227 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 65.26 66.3 0.55 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.936 0.398 . . . . 75.5 110.891 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -116.87 120.38 38.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 71.43 110.8 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.467 ' O ' HG22 ' A' ' 144' ' ' THR . . . 60.13 23.69 59.94 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.806 -0.711 . . . . 74.24 112.606 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.715 HG13 HD23 ' A' ' 19' ' ' LEU . 61.5 t -58.39 -58.82 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 120.734 0.302 . . . . 63.3 111.055 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 13.1 mt-10 -62.04 -26.01 68.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 53.11 110.906 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -42.62 82.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 43.53 110.949 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.759 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -68.27 -42.67 79.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.44 111.008 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -63.66 -51.4 65.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.881 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.5 m-85 -53.63 -31.49 47.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 55.32 110.97 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.956 HG21 HD11 ' A' ' 142' ' ' ILE . 51.1 m -59.81 -41.56 91.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 41.42 110.853 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.816 HD23 HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -58.65 -48.07 82.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 73.44 110.961 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.761 HG11 HD12 ' A' ' 46' ' ' ILE . 20.9 t -54.53 -44.7 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 74.34 111.129 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -35.12 76.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 72.44 110.712 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -67.2 -45.89 75.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.55 110.761 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 21.1 mt -61.65 -48.01 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.12 -0.491 . . . . 63.01 111.146 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -51.04 -30.7 16.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 73.51 111.104 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -68.4 -41.55 80.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 70.11 110.808 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.232 -0.89 . . . . 71.22 110.718 179.854 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.823 ' N2 ' HD12 ' A' ' 120' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 252' ' ' HOH . . . . . 0.541 ' O ' ' O1G' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.753 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.897 0.38 . . . . 44.22 111.14 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.66 149.9 20.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.32 110.751 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -105.13 108.66 20.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 71.5 110.868 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -97.41 131.66 43.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 62.44 110.904 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.9 99.1 8.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 63.13 110.855 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.815 HD13 HD23 ' A' ' 159' ' ' LEU . 12.1 mt -99.01 136.73 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 41.3 110.944 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 78' ' ' PHE . 3.2 m -110.26 106.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 75.23 111.151 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.92 145.13 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 54.14 111.29 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.7 164.25 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 63.22 110.971 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.57 165.59 35.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.65 -0.786 . . . . 24.42 112.594 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.38 23.46 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.692 0.282 . . . . 74.1 111.342 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.65 -85.94 1.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 71.01 112.641 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.12 58.18 5.05 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 55.53 112.733 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.581 HG11 ' HB3' ' A' ' 89' ' ' SER . 30.3 m -133.44 20.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 54.44 111.316 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.12 30.53 73.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 62.44 112.548 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -58.52 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 70.11 110.876 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 p -69.51 -28.21 65.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 54.42 110.92 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.699 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -53.27 -50.48 64.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.383 . . . . 54.33 111.241 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.04 -40.24 95.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 72.11 110.82 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.618 HG23 ' CG2' ' A' ' 55' ' ' ILE . 87.0 m -59.68 -57.28 13.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 74.22 110.927 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.07 -31.65 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 71.1 110.803 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.409 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 7.5 mm-40 -65.08 -45.79 83.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 74.11 110.888 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.775 HD13 ' O ' ' A' ' 23' ' ' LEU . 2.9 tm? -76.71 -13.75 60.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 42.31 111.377 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.2 mm -99.73 -75.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.67 0.271 . . . . 73.43 111.321 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -85.13 -27.59 26.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 64.3 111.305 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 22' ' ' GLN . 0.4 OUTLIER 64.42 31.18 12.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 71.12 110.809 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.13 7.59 10.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 73.35 111.54 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.5 t80 64.07 134.67 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.841 0.353 . . . . 73.35 110.464 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.422 HG23 ' HA ' ' A' ' 18' ' ' ALA . 92.8 t -58.31 102.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.13 0.49 . . . . 61.13 111.394 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -117.89 -21.11 8.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.5 -0.773 . . . . 73.51 111.629 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -171.06 123.29 0.59 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.764 0.316 . . . . 63.42 110.358 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -141.2 164.45 30.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 73.01 110.965 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.17 121.88 61.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 75.52 110.733 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -77.66 -9.38 17.16 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.506 2.137 . . . . 73.22 112.625 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 t -76.1 -25.76 55.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.462 -0.335 . . . . 65.41 111.244 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.694 HD12 ' H ' ' A' ' 38' ' ' ASP . 1.1 pt -104.18 168.96 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.371 . . . . 74.41 111.363 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.42 -10.68 59.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 51.42 111.796 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.694 ' H ' HD12 ' A' ' 36' ' ' ILE . 34.9 m-20 61.76 27.81 17.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.898 0.38 . . . . 72.24 110.974 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 t -94.93 144.94 25.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.941 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -141.02 171.33 14.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 63.25 110.846 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.49 123.8 10.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 73.03 110.885 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.456 ' O ' HD13 ' A' ' 52' ' ' LEU . 66.5 tttt -112.83 148.89 33.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 62.44 110.805 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.5 ' HG3' HD22 ' A' ' 52' ' ' LEU . 30.5 tt0 -99.86 119.55 38.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 72.2 110.929 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -131.88 175.61 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 62.43 111.109 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -116.91 105.7 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 73.12 111.044 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.563 ' CD1' HG21 ' A' ' 160' ' ' VAL . 49.1 mt -120.24 140.4 44.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 71.51 110.963 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t0 65.41 15.86 10.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 43.44 111.173 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.05 -18.04 52.94 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.728 -0.749 . . . . 71.34 112.884 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -106.54 145.06 32.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 72.54 111.179 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.7 m -76.02 136.38 39.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 73.01 110.678 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 61.6 m -153.75 145.11 23.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 64.32 110.943 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.753 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -83.18 143.29 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 64.52 110.751 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 53' ' ' LEU . 28.4 mt -114.87 86.22 2.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 72.44 110.942 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 96.18 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.825 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.618 ' CG2' HG23 ' A' ' 20' ' ' THR . 20.2 mm -92.85 110.51 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.13 111.132 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.46 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -92.41 124.7 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 55.35 110.622 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -103.73 103.94 13.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 73.13 110.563 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.46 HG22 HD21 ' A' ' 56' ' ' LEU . 20.9 p -75.23 -178.69 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 62.12 110.877 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.51 162.5 28.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 41.32 111.184 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.22 -15.51 15.78 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.775 -0.726 . . . . 74.13 112.655 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -77.01 -24.56 52.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.652 0.263 . . . . 63.1 111.076 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 66.81 -163.29 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.448 -0.342 . . . . 74.11 110.782 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 72.76 29.6 1.91 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.852 0.358 . . . . 72.22 110.975 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -145.88 61.73 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 74.43 110.812 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.8 p -62.76 -20.99 65.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 63.2 111.233 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.55 -58.9 5.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.814 0.34 . . . . 75.11 111.315 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -82.28 -32.86 29.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.3 110.824 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -33.76 72.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.04 110.856 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -76.68 -29.73 56.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.885 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -67.46 -33.27 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 74.45 110.924 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -72.32 -35.52 68.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 72.21 111.212 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.551 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.6 mtt -57.23 -50.77 71.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.844 0.354 . . . . 74.53 110.702 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.429 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 58.5 mtm-85 -63.53 -21.23 66.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.075 -0.511 . . . . 72.35 110.971 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.0 p -106.37 14.26 27.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 70.23 111.337 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -115.39 118.62 4.34 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.496 -0.859 . . . . 71.54 112.701 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.55 -25.21 63.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.729 0.299 . . . . 75.54 110.905 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.494 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -143.13 153.69 24.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 73.12 112.37 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.43 ' CE2' HG21 ' A' ' 7' ' ' VAL . 2.7 m-85 -123.98 125.43 44.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 74.22 111.076 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.691 HD12 HD22 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -112.19 130.29 55.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 53.42 110.999 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.782 ' HB3' HD12 ' A' ' 93' ' ' ILE . 57.7 m -107.17 117.0 32.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 63.52 110.709 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -103.28 113.72 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 71.01 111.317 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.22 147.76 48.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 63.33 110.591 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.509 ' HB1' ' HG3' ' A' ' 117' ' ' LYS . . . -98.26 123.85 42.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 64.15 111.174 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.785 HD12 ' CB ' ' A' ' 123' ' ' ARG . 3.2 pt -60.2 -26.83 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.072 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -74.63 -30.65 61.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 65.25 110.945 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -98.87 104.85 16.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.382 -0.372 . . . . 73.03 111.068 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.6 m -65.23 -23.37 67.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.41 110.924 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -69.62 -48.45 59.95 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.336 -0.393 . . . . 74.42 110.594 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.581 ' HB3' HG11 ' A' ' 14' ' ' VAL . 1.9 m -59.61 -30.79 68.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 62.33 110.782 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -59.6 -41.7 90.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 73.14 110.75 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.69 -29.18 61.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 72.23 110.995 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 0.6 OUTLIER -61.9 -31.33 71.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 73.22 110.821 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.782 HD12 ' HB3' ' A' ' 80' ' ' CYS . 32.1 mm -61.73 -30.81 49.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 74.44 110.737 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -69.58 -55.4 10.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 74.14 110.671 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -66.47 -30.03 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 63.44 111.007 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.7 m-85 -62.48 -40.32 96.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 72.45 110.924 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.444 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 11.7 ttt85 -66.11 -30.72 71.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.76 -36.35 83.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 62.21 110.944 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -63.43 -39.28 94.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 51.43 110.857 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.587 HD12 ' HE1' ' A' ' 111' ' ' MET . 60.1 mt -63.94 -48.65 85.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 65.55 111.014 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -54.58 -36.02 63.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.156 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -62.94 -59.02 5.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 62.04 111.138 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.551 HG11 ' HB2' ' A' ' 72' ' ' MET . 95.9 t -64.12 -52.61 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 62.41 110.824 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.43 ' HD2' ' CE1' ' A' ' 78' ' ' PHE . 4.4 mtpm? -62.94 -26.77 68.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 73.31 110.919 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.3 t0 62.61 46.18 5.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 74.15 110.868 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.47 161.47 6.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.811 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.17 -56.37 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 65.33 110.871 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -72.55 85.04 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.912 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.51 152.93 58.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 72.12 111.083 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HB3' ' HA ' ' A' ' 163' ' ' ILE . 42.2 Cg_endo -67.58 113.85 3.09 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.554 2.17 . . . . 72.13 112.459 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.619 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.2 ptp -165.22 164.59 20.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 62.01 110.979 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.529 HG13 ' HG2' ' A' ' 140' ' ' PRO . 21.4 t -144.53 152.76 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.14 111.284 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.65 HD23 ' HB2' ' A' ' 134' ' ' ALA . 5.6 tp -114.83 112.16 22.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 61.31 110.831 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.714 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 21.9 t -102.68 146.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 75.12 111.145 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.45 87.72 0.47 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.794 -0.717 . . . . 65.15 112.57 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.509 HD21 ' HB2' ' A' ' 146' ' ' ALA . 12.5 t-20 -67.35 174.47 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.756 0.312 . . . . 71.13 110.828 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.879 ' HB3' HD12 ' A' ' 120' ' ' LEU . 11.4 mmtm 62.94 45.1 5.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 71.51 110.889 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 12.3 t -81.94 -22.49 36.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 64.34 111.241 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -90.94 -19.01 23.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.444 -0.344 . . . . 74.31 111.466 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.879 HD12 ' HB3' ' A' ' 117' ' ' LYS . 5.7 mt -48.03 142.49 5.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.772 0.32 . . . . 74.51 111.09 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -92.7 19.29 7.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 65.42 111.563 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.31 69.83 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.818 0.342 . . . . 64.43 110.968 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.785 ' CB ' HD12 ' A' ' 84' ' ' ILE . 6.5 ptp85 -89.0 132.75 34.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 74.14 110.926 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.9 p -103.95 -46.76 4.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 65.42 110.733 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.2 t -94.53 103.95 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 73.35 110.904 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -59.43 161.5 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 71.42 110.954 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.3 p -61.87 -40.65 96.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 62.35 111.043 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -55.8 -43.71 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.982 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -66.22 -35.93 81.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -35.92 67.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 71.33 111.152 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -35.5 76.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 72.32 110.866 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.46 -44.44 89.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.843 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.553 HD22 ' O ' ' A' ' 133' ' ' LEU . 1.1 tm? -68.26 -51.76 41.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.258 -0.428 . . . . 74.51 111.047 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.65 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -62.38 -32.39 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 75.24 110.993 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -65.12 -26.19 68.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 73.12 111.1 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.1 m -74.62 -28.82 61.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.954 0.407 . . . . 70.51 110.726 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.482 ' HE2' HD11 ' A' ' 133' ' ' LEU . 23.1 m-85 -83.2 -21.56 33.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.969 -0.56 . . . . 71.14 111.097 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.44 16.29 64.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.715 -0.755 . . . . 64.23 112.631 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.619 HG21 ' HG3' ' A' ' 111' ' ' MET . 29.4 pt -107.91 153.79 41.44 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.723 0.297 . . . . 74.05 111.361 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.529 ' HG2' HG13 ' A' ' 112' ' ' VAL . 56.1 Cg_endo -69.96 150.21 66.67 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.581 2.187 . . . . 71.34 112.281 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -124.9 118.53 26.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 72.4 110.804 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.951 HD11 HG21 ' A' ' 158' ' ' THR . 4.8 mp -117.05 145.06 23.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 72.23 110.952 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -110.89 131.23 55.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 62.44 110.819 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 150' ' ' GLN . 19.1 p -146.21 177.81 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.407 . . . . 75.05 111.275 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.93 127.31 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 72.23 110.818 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.699 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.82 -18.44 62.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 71.12 111.493 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -90.63 -51.61 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.555 -0.293 . . . . 72.44 111.295 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 149' ' ' ARG . 25.3 p -93.63 13.43 22.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.556 -0.293 . . . . 50.14 111.637 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 148' ' ' THR . 0.6 OUTLIER 28.25 63.56 0.11 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.129 0.418 . . . . 72.51 112.129 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 144' ' ' THR . 6.5 tt0 -110.47 108.1 17.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 71.21 111.16 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 75.9 12.91 83.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 64.41 112.989 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 59.0 t -57.18 -54.16 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-O 120.794 0.331 . . . . 74.15 111.062 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.446 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 4.4 mt-10 -59.99 -27.4 66.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 52.33 110.659 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -55.94 26.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 54.0 110.707 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.714 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -51.8 -47.53 64.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 74.13 111.345 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.21 -51.13 70.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 75.51 110.912 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.5 m-85 -58.32 -34.27 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 71.42 111.058 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.951 HG21 HD11 ' A' ' 142' ' ' ILE . 4.7 m -57.13 -44.53 83.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.35 -0.386 . . . . 54.0 110.855 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.815 HD23 HD13 ' A' ' 6' ' ' LEU . 55.7 tp -59.85 -44.68 93.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 71.1 110.738 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' A' ' 46' ' ' ILE . 24.1 t -53.85 -37.77 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.071 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -76.39 -34.44 58.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.731 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.38 -43.58 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.02 110.873 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.404 ' HA ' ' HB3' ' A' ' 110' ' ' PRO . 67.7 mt -59.54 -51.15 76.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.254 -0.43 . . . . 64.15 111.24 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -57.63 -33.47 68.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 71.42 110.95 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -30.98 69.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 53.3 110.886 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 61.9 t60 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.228 -0.892 . . . . 65.44 110.818 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.782 " H2'" ' PA ' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.463 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 121.055 0.455 . . . . 54.24 111.371 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.06 146.72 37.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.829 -0.623 . . . . 74.12 110.813 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.47 132.45 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 63.13 110.802 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -122.19 112.45 18.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.937 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 100.72 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 70.34 110.724 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.698 HD13 ' CD1' ' A' ' 55' ' ' ILE . 0.8 OUTLIER -94.23 126.63 39.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.11 111.091 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.404 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 94.4 t -112.48 103.46 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.024 -0.535 . . . . 71.43 110.951 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.7 t -77.31 140.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 72.32 111.057 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.6 m -143.89 -177.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.14 111.159 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.9 -174.89 15.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.722 . . . . 71.22 112.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.14 160.78 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 73.34 111.08 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.426 ' HA2' ' HA3' ' A' ' 60' ' ' GLY . . . -47.97 -83.67 0.02 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.838 -0.696 . . . . 74.13 112.587 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.41 -102.99 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.648 -0.787 . . . . 51.24 112.096 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.419 HG11 ' HB3' ' A' ' 89' ' ' SER . 35.1 m 42.22 30.83 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.803 0.335 . . . . 72.1 111.865 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 53.76 38.78 60.07 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.839 -0.696 . . . . 73.35 112.649 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -74.59 -58.4 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 73.24 110.998 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -37.07 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 55.13 110.861 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.91 -34.42 73.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 61.24 111.043 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.748 HD23 HG13 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -61.06 -38.66 86.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 62.35 110.841 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.535 HG23 HG21 ' A' ' 55' ' ' ILE . 83.8 m -68.21 -35.69 78.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.897 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.409 HG13 HG12 ' A' ' 29' ' ' VAL . 37.2 mm -62.08 -43.83 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 72.31 111.179 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.698 ' HB2' HG11 ' A' ' 152' ' ' VAL . 51.0 mm-40 -59.34 -45.84 90.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 75.24 111.029 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 23' ' ' LEU . 3.1 tm? -71.62 -45.85 60.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 75.22 111.026 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.6 mm -66.91 -76.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 53.21 111.249 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.1 mt-30 -89.6 -97.2 0.1 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.561 -0.291 . . . . 74.41 111.055 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 3.4 m-20 166.36 43.28 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.827 0.346 . . . . 63.24 110.846 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -148.76 -170.58 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 73.43 111.119 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.477 ' CZ ' " H2'" ' A' ' 219' ' ' GNP . 1.0 OUTLIER -118.16 100.96 7.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 74.0 110.757 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.409 HG12 HG13 ' A' ' 21' ' ' ILE . 0.3 OUTLIER -88.17 145.88 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 71.21 111.264 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -88.32 -65.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 73.51 110.775 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.48 79.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 71.24 110.933 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -138.24 145.21 41.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 62.24 110.859 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.85 118.65 7.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.668 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.596 ' HD2' HD12 ' A' ' 36' ' ' ILE . 47.7 Cg_endo -68.25 -40.33 8.68 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.445 2.097 . . . . 65.53 112.178 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.79 43.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 54.13 110.864 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.596 HD12 ' HD2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -137.98 176.98 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 74.01 111.157 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -93.85 47.37 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 72.2 111.005 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 51.49 25.92 2.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.173 -0.467 . . . . 73.34 111.352 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.2 m -117.67 162.64 17.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.387 . . . . 61.24 111.007 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.49 174.5 13.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 71.51 110.754 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.55 155.38 41.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.828 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -155.07 147.34 23.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.944 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -100.3 122.63 43.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 71.3 110.809 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.4 m -134.97 -178.06 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 63.3 111.197 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -118.05 100.84 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 75.23 111.117 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.669 HG13 HG11 ' A' ' 160' ' ' VAL . 12.9 mm -83.55 105.77 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.983 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.2 t0 59.44 37.77 22.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 70.11 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.55 -6.35 82.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 31.25 112.841 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.78 114.28 27.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 73.41 110.983 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.5 m -70.66 121.47 17.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 74.4 110.983 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.5 m -148.7 149.85 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 70.11 110.891 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.463 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -78.83 141.96 37.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 64.04 110.945 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.6 mt -121.98 93.36 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 61.5 110.805 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.12 95.7 10.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 70.13 110.892 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.698 ' CD1' HD13 ' A' ' 6' ' ' LEU . 13.0 mm -85.44 111.02 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 73.31 111.024 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.592 HD21 ' CG2' ' A' ' 58' ' ' THR . 2.1 tt -101.89 119.52 38.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.242 -0.436 . . . . 64.41 110.714 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -117.54 98.31 6.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 44.32 110.754 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.592 ' CG2' HD21 ' A' ' 56' ' ' LEU . 17.7 p -78.98 -173.74 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 62.55 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.44 159.85 5.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 73.0 111.217 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.426 ' HA3' ' HA2' ' A' ' 12' ' ' GLY . . . -115.18 -31.83 1.96 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 71.21 112.564 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.55 85.7 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 72.33 110.871 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.37 171.77 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.53 110.847 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -110.58 46.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 75.14 110.879 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -97.76 82.88 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.935 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.34 -24.05 24.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.41 111.096 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.99 -63.62 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.921 0.391 . . . . 73.44 111.311 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.408 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 15.2 ptp -63.13 -30.72 71.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 54.4 110.97 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -25.41 44.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 62.32 111.121 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.18 -24.95 34.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 73.22 111.238 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 74' ' ' THR . 5.0 pt20 -80.77 -39.81 26.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 61.42 110.999 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 14.5 m-85 -74.17 -53.17 10.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 75.34 110.981 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.1 mtt -54.94 -46.76 75.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 65.5 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 58.9 mtp180 -62.91 -24.44 67.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 70.41 111.067 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 70' ' ' GLN . 73.8 p -100.55 -9.9 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 74.44 111.418 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.404 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -81.96 132.1 10.9 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.624 -0.798 . . . . 73.2 112.857 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.04 -21.7 58.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 63.34 110.859 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.58 -171.7 23.07 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.889 -0.672 . . . . 62.13 112.418 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.583 ' CE2' HG23 ' A' ' 100' ' ' ILE . 93.6 m-85 -150.26 135.15 17.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 72.5 110.904 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.854 HD12 HD23 ' A' ' 159' ' ' LEU . 0.4 OUTLIER -116.75 115.79 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 74.34 111.039 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.79 ' HB3' HD12 ' A' ' 93' ' ' ILE . 75.3 m -93.68 119.07 32.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.761 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.702 HG22 ' CG2' ' A' ' 114' ' ' VAL . 49.1 t -113.06 130.02 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.462 . . . . 74.24 111.145 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.587 ' HD1' HD11 ' A' ' 113' ' ' LEU . 7.8 p90 -139.18 151.78 46.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 54.42 111.014 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.96 124.06 40.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.33 111.103 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.841 HD12 ' CB ' ' A' ' 123' ' ' ARG . 10.3 pt -59.9 -32.18 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 71.13 111.092 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' HG13 ' A' ' 84' ' ' ILE . 0.9 OUTLIER -67.11 -19.15 65.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.51 . . . . 74.32 111.15 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -119.61 103.31 9.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.365 -0.38 . . . . 65.02 110.866 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.52 HG23 HG22 ' A' ' 125' ' ' VAL . 2.9 m -64.15 -22.87 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 65.51 111.096 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -64.78 -43.13 94.25 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.859 0.361 . . . . 72.41 110.655 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.419 ' HB3' HG11 ' A' ' 14' ' ' VAL . 15.2 m -60.74 -39.3 88.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.74 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 130' ' ' ALA . 26.2 t80 -59.18 -25.25 63.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 72.32 110.996 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.37 -34.71 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 60.23 111.04 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.72 -34.89 78.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.992 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.79 HD12 ' HB3' ' A' ' 80' ' ' CYS . 27.3 mm -59.6 -27.71 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.406 . . . . 73.21 111.007 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -74.21 -55.33 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.806 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -67.39 -29.05 68.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 65.3 111.063 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.84 -43.42 94.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 73.14 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -58.15 -40.78 82.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 72.43 110.863 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.92 -28.22 49.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.44 111.116 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -76.15 -42.13 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 74.53 110.892 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.583 HG23 ' CE2' ' A' ' 78' ' ' PHE . 49.3 mt -64.78 -46.31 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 75.12 110.941 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -57.48 -28.89 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 54.45 110.924 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -70.75 -58.59 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 71.43 110.806 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.425 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 39.0 t -57.08 -56.65 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 62.32 111.052 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -63.1 -20.58 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 73.4 111.029 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 61.58 46.53 7.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 60.11 110.886 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.18 154.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.12 111.013 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -81.06 -41.01 23.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.673 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -70.08 94.95 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 72.31 110.711 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.517 HG13 ' HD2' ' A' ' 110' ' ' PRO . 61.2 t -131.61 136.14 28.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 74.11 110.769 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.517 ' HD2' HG13 ' A' ' 109' ' ' VAL . 58.6 Cg_endo -73.01 100.91 1.26 Allowed 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.809 2.339 . . . . 73.42 112.344 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.579 ' HG3' HG21 ' A' ' 139' ' ' ILE . 10.6 ptp -144.91 170.36 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 71.44 110.837 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.914 HG23 HD22 ' A' ' 159' ' ' LEU . 42.9 t -143.87 146.76 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 73.42 111.127 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.587 HD11 ' HD1' ' A' ' 82' ' ' PHE . 9.4 tp -113.79 131.41 56.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 72.35 110.719 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.702 ' CG2' HG22 ' A' ' 81' ' ' VAL . 5.2 m -123.99 158.9 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 62.15 111.497 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.23 75.82 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.897 -0.668 . . . . 75.32 112.257 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -48.97 159.0 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 65.13 111.24 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.606 ' HG2' HD12 ' A' ' 120' ' ' LEU . 0.6 OUTLIER 64.36 61.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 75.33 110.882 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 15.1 t -104.05 20.76 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.513 . . . . 64.41 111.026 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -116.78 -38.72 3.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 75.55 110.921 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.606 HD12 ' HG2' ' A' ' 117' ' ' LYS . 40.8 mt -54.15 151.57 6.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 71.3 110.956 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.08 36.96 1.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 64.4 111.249 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.63 74.52 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 52.12 111.06 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.841 ' CB ' HD12 ' A' ' 84' ' ' ILE . 6.9 ptp85 -99.53 135.08 41.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 75.44 110.905 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.8 p -105.37 -27.89 11.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 63.45 110.791 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.52 HG22 HG23 ' A' ' 87' ' ' THR . 86.7 t -111.13 96.33 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.075 -0.511 . . . . 61.31 110.759 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -56.07 164.4 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 72.35 111.044 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 m -60.98 -39.41 89.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 71.51 110.959 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -58.58 -50.04 75.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 70.22 110.926 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.05 -41.77 88.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 73.11 111.0 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . . . -72.31 -42.8 65.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 73.13 111.059 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -31.82 73.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.826 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.19 -35.94 76.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 71.43 110.686 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.674 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 52.9 tp -78.68 -50.72 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.12 110.745 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.2 -35.74 72.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 44.44 110.936 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -69.24 -26.87 65.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 75.03 110.83 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -37.34 62.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 74.34 110.522 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.674 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 23.1 m-85 -77.79 -15.08 59.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.914 -0.585 . . . . 73.02 111.104 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.76 20.35 68.54 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.685 -0.769 . . . . 74.52 112.427 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.579 HG21 ' HG3' ' A' ' 111' ' ' MET . 7.8 pt -110.17 156.81 39.51 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.828 0.346 . . . . 74.11 111.645 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.445 ' HG2' HG13 ' A' ' 112' ' ' VAL . 58.2 Cg_endo -72.85 152.01 51.79 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.614 2.209 . . . . 74.41 112.318 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -122.44 117.29 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.745 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.956 HD11 HG21 ' A' ' 158' ' ' THR . 2.2 mp -118.52 151.04 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 60.54 111.023 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -112.01 117.88 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.397 . . . . 74.22 111.101 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 151' ' ' GLY . 75.2 p -128.34 163.85 23.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.31 111.104 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 81.9 p -136.1 117.81 15.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 65.01 110.846 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.03 -13.94 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 53.25 111.586 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -96.97 -66.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 75.01 111.204 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -70.51 -21.66 62.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 64.22 111.405 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 63.48 73.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.905 0.383 . . . . 75.21 110.755 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -125.86 115.24 19.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 71.23 110.837 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.529 ' O ' HG22 ' A' ' 144' ' ' THR . . . 65.12 14.82 59.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.677 -0.773 . . . . 70.52 112.843 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.748 HG13 HD23 ' A' ' 19' ' ' LEU . 36.0 t -50.36 -55.2 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 71.15 111.203 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.449 ' HA ' HD23 ' A' ' 23' ' ' LEU . 2.9 mt-10 -63.53 -27.44 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.804 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -51.46 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.889 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.638 ' HB1' HG11 ' A' ' 114' ' ' VAL . . . -59.78 -48.74 80.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 70.15 111.125 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.518 ' HE1' HD22 ' A' ' 19' ' ' LEU . 7.8 m-85 -57.55 -51.03 71.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.864 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.8 m-85 -55.97 -36.06 67.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.897 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.956 HG21 HD11 ' A' ' 142' ' ' ILE . 7.8 m -58.15 -38.29 76.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 55.34 110.844 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.914 HD22 HG23 ' A' ' 112' ' ' VAL . 0.2 OUTLIER -60.55 -37.49 81.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 74.43 110.828 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.669 HG11 HG13 ' A' ' 46' ' ' ILE . 7.6 t -64.6 -40.66 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 72.32 111.064 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -37.68 75.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 51.14 110.969 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.95 -51.56 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.964 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.43 -44.89 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.371 -0.377 . . . . 70.24 111.338 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -53.78 -40.85 66.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 75.31 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -29.82 64.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 71.4 110.955 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.123 -0.942 . . . . 72.52 110.998 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.477 " H2'" ' CZ ' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.847 0.356 . . . . 71.31 111.145 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.03 145.48 45.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.853 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -98.65 110.41 23.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.907 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -98.94 114.44 27.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.878 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 99.65 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.765 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.866 HD22 HD12 ' A' ' 159' ' ' LEU . 24.1 mt -93.02 128.08 38.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 74.55 110.993 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.417 ' HB ' ' CD2' ' A' ' 78' ' ' PHE . 70.4 t -97.38 102.16 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.02 111.121 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 t -84.55 142.11 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 65.23 111.078 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.8 m -145.68 163.98 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 63.15 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.47 163.86 11.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.763 . . . . 64.43 112.522 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.8 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -63.26 161.35 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 73.34 111.16 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.28 -18.61 60.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 35.4 112.807 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.92 41.79 2.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 75.54 112.603 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 11' ' ' ALA . 33.9 m -111.11 -28.34 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.764 0.316 . . . . 53.34 111.302 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.0 26.29 22.32 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.693 -0.765 . . . . 72.0 112.427 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 258' ' ' HOH . 11.9 pttt -58.6 -47.87 82.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 75.31 111.003 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 p -66.94 -32.14 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 45.13 110.89 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.31 86.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 72.23 111.108 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.532 HD11 ' CG ' ' A' ' 116' ' ' ASN . 2.6 mt -66.6 -32.55 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 74.31 110.979 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.732 HG23 HG21 ' A' ' 55' ' ' ILE . 89.2 m -61.2 -56.35 21.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 75.43 110.978 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.17 -31.96 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.283 -0.417 . . . . 64.01 110.755 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -60.23 -46.92 88.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 71.13 110.655 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.727 HD13 ' O ' ' A' ' 23' ' ' LEU . 3.0 tm? -76.93 -19.67 57.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 61.24 111.191 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mm -90.49 -77.32 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.481 -0.327 . . . . 73.41 111.443 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.439 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 41.4 mt-30 -87.27 -28.6 22.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.508 -0.314 . . . . 63.24 111.304 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.79 54.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 50.32 111.202 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 25' ' ' GLN . 7.2 p80 -147.49 14.97 1.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.378 -0.374 . . . . 72.54 111.576 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.493 ' CZ ' " O2'" ' A' ' 219' ' ' GNP . 2.4 t80 63.02 136.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.735 0.303 . . . . 73.2 110.449 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.41 134.6 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.95 0.405 . . . . 64.2 110.91 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 178.05 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.848 -0.615 . . . . 73.21 110.655 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -117.81 80.25 1.48 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.184 -0.462 . . . . 63.24 110.936 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -142.78 142.22 31.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.791 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.04 148.96 41.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.36 -0.382 . . . . 63.21 111.03 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.56 -164.93 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.568 2.178 . . . . 75.15 112.23 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t 69.92 17.06 7.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.332 -0.394 . . . . 74.02 111.191 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 pt -136.22 10.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.476 -0.329 . . . . 60.41 111.43 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER 62.15 15.98 7.92 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.531 -0.304 . . . . 72.43 111.382 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 48.91 28.06 1.83 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.763 0.316 . . . . 73.2 111.41 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.2 t -107.51 151.85 25.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 75.2 111.154 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -152.76 141.65 21.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.032 -0.531 . . . . 61.3 110.67 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.5 126.9 52.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 72.03 110.82 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -116.02 149.75 38.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 73.55 110.996 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.89 120.68 31.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 73.15 110.727 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.3 175.79 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 63.14 111.196 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.402 HG12 ' CA ' ' A' ' 48' ' ' GLY . 21.9 t -120.86 100.83 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 75.21 111.094 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.7 HG13 HG11 ' A' ' 160' ' ' VAL . 19.0 mm -81.91 102.41 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 74.22 111.106 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.3 t0 59.44 35.93 23.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 61.43 110.851 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.402 ' CA ' HG12 ' A' ' 45' ' ' VAL . . . 90.89 -4.1 81.44 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.692 -0.766 . . . . 55.14 112.838 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -103.34 107.37 18.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.776 0.322 . . . . 43.4 110.909 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.0 m -60.77 120.38 10.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 75.04 110.857 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 91.5 m -149.31 147.93 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.03 111.021 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -83.46 151.7 25.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 52.43 110.698 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.6 mt -122.22 79.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 71.54 111.0 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.7 94.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 62.14 110.729 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.732 HG21 HG23 ' A' ' 20' ' ' THR . 11.6 mm -80.58 108.66 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.267 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.557 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.4 tm? -89.78 100.99 13.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 70.31 110.738 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.17 105.76 15.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 74.43 111.009 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.9 p -81.03 -173.79 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 64.34 110.809 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.84 162.47 29.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 74.24 111.072 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.0 -38.05 2.07 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.723 -0.751 . . . . 61.42 112.479 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -112.4 -34.33 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 75.12 110.98 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.56 106.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 63.24 110.86 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -58.72 118.07 5.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 53.12 110.989 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -157.64 120.78 3.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 64.42 110.858 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.8 p -116.64 -36.94 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.893 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.52 -56.37 22.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 75.3 111.077 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.2 null -71.09 -29.86 65.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.823 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 -62.64 -30.25 71.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.869 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -31.2 44.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.983 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 74' ' ' THR . 2.0 pt20 -65.4 -33.16 75.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 54.12 110.772 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -69.08 -44.56 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 71.53 110.782 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.567 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.7 mtt -57.73 -50.31 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 53.33 110.653 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.4 mtp85 -63.96 -21.58 66.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 54.25 111.052 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 70' ' ' GLN . 77.9 p -104.59 2.55 30.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.43 . . . . 73.52 111.446 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.22 139.5 14.83 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.562 -0.828 . . . . 74.31 112.797 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.03 -18.66 31.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.708 0.289 . . . . 73.13 111.083 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.411 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -153.17 168.14 31.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 72.12 112.374 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.528 ' O ' HD21 ' A' ' 159' ' ' LEU . 57.9 m-85 -133.69 139.07 46.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.371 . . . . 73.11 110.949 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.727 HD12 HD23 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -122.55 129.36 51.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 73.55 110.828 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.86 ' HB3' HD12 ' A' ' 93' ' ' ILE . 6.6 m -106.77 107.4 18.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 74.55 110.906 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.493 HG11 HD12 ' A' ' 19' ' ' LEU . 67.3 t -99.15 107.32 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 52.3 111.083 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.439 ' HB3' HD11 ' A' ' 93' ' ' ILE . 0.2 OUTLIER -116.13 149.83 38.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.622 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.47 123.66 39.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 73.21 111.059 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.758 HD12 ' CB ' ' A' ' 123' ' ' ARG . 2.5 pt -65.23 -23.87 34.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 71.53 111.179 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.49 ' O ' HG23 ' A' ' 124' ' ' THR . 1.0 OUTLIER -75.92 -13.55 60.26 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.257 -0.429 . . . . 73.13 111.252 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -124.82 122.11 36.48 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.831 0.348 . . . . 53.23 110.93 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -70.74 -30.09 66.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 64.32 110.905 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -59.52 -45.1 92.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 73.44 110.959 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.506 ' HB3' HG12 ' A' ' 14' ' ' VAL . 16.9 m -57.53 -38.85 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 62.42 110.911 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 16.4 t80 -63.04 -29.5 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 51.23 110.817 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.34 -26.95 46.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 72.23 111.091 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.03 -34.42 71.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 71.01 110.965 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.86 HD12 ' HB3' ' A' ' 80' ' ' CYS . 24.8 mm -58.74 -28.08 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 72.42 110.918 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -73.37 -55.33 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 74.44 110.758 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -68.55 -29.07 67.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.43 111.127 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -63.88 -47.81 79.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 65.44 110.975 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.421 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 1.8 ttp180 -62.22 -30.42 71.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 64.43 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.85 -31.38 72.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.395 . . . . 53.33 110.936 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -68.76 -34.77 76.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 74.5 111.071 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.9 mt -71.56 -41.57 72.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.2 111.117 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.538 ' HZ1' HG22 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -55.64 -32.94 63.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 74.51 110.966 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -71.58 -56.83 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 73.42 110.746 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.567 HG11 ' HB2' ' A' ' 72' ' ' MET . 25.6 t -59.34 -59.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 71.43 111.088 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -61.86 -26.5 68.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.42 110.896 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.7 t0 62.82 44.99 5.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.97 0.414 . . . . 64.34 110.707 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.46 140.78 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 71.53 110.804 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -74.12 -41.97 60.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 74.33 111.106 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -80.55 88.43 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 53.53 111.003 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.538 HG22 ' HZ1' ' A' ' 101' ' ' LYS . 21.5 m -126.68 152.91 75.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 72.13 111.18 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.98 108.24 2.27 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.562 2.175 . . . . 63.25 112.379 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.683 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.2 ptp -159.1 166.35 31.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 72.35 110.944 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.777 HG23 HD22 ' A' ' 159' ' ' LEU . 24.2 t -144.22 150.96 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.0 111.282 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.783 HD22 HG21 ' A' ' 93' ' ' ILE . 6.3 tp -115.48 114.41 24.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 70.21 110.65 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.737 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 22.0 t -105.91 146.64 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 73.23 111.269 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.5 82.89 0.31 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.917 -0.659 . . . . 53.12 112.294 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.532 ' CG ' HD11 ' A' ' 19' ' ' LEU . 20.3 t-20 -57.51 171.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 73.41 111.095 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.438 ' O ' HD11 ' A' ' 84' ' ' ILE . 10.4 mtmm 62.63 58.59 1.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 75.25 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.1 t -96.46 -21.78 17.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 73.45 110.943 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.02 -23.93 28.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.262 -0.426 . . . . 74.41 111.185 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.4 mt -50.06 163.76 0.14 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.444 -0.344 . . . . 74.12 111.113 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.78 24.51 11.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 53.14 111.362 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.64 72.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 71.41 111.221 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.758 ' CB ' HD12 ' A' ' 84' ' ' ILE . 10.6 ptm180 -93.53 134.07 36.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 72.11 110.852 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 85' ' ' ASN . 15.6 p -97.76 -50.61 4.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 70.13 110.684 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.0 t -92.62 102.85 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.578 . . . . 64.42 110.858 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.58 161.39 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 64.31 111.011 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.7 p -59.14 -37.43 77.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.513 . . . . 44.31 111.09 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -57.2 -48.27 79.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.939 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -59.39 -42.84 92.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.039 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.42 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -67.46 -37.15 82.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 70.25 111.215 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -33.62 76.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 73.43 111.015 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.55 -45.85 88.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 65.52 111.007 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.679 HD21 ' CZ ' ' A' ' 137' ' ' TYR . 1.1 tm? -68.63 -51.78 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.24 111.081 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.542 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -58.61 -44.07 89.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 73.12 111.145 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -58.78 -25.94 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 63.5 111.089 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.9 t -75.19 -30.28 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 71.31 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.679 ' CZ ' HD21 ' A' ' 133' ' ' LEU . 21.7 m-85 -83.32 -22.25 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 74.22 111.054 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.1 15.33 62.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.692 -0.765 . . . . 73.12 112.622 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.683 HG21 ' HG3' ' A' ' 111' ' ' MET . 21.1 pt -107.76 152.84 41.71 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.764 0.316 . . . . 74.52 111.288 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HG2' HG13 ' A' ' 112' ' ' VAL . 43.7 Cg_endo -68.22 152.88 75.65 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.556 2.171 . . . . 73.44 112.324 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -127.09 118.61 24.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 71.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.77 HD11 HG21 ' A' ' 158' ' ' THR . 4.9 mp -118.5 150.02 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 71.11 110.991 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -113.71 130.64 56.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 71.15 110.789 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 151' ' ' GLY . 34.7 p -142.3 175.06 10.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.91 0.386 . . . . 74.34 111.313 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.81 119.73 13.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 74.44 110.817 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.82 -18.92 65.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 43.5 111.488 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -83.73 -57.7 3.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.51 -0.314 . . . . 74.51 111.313 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 56.8 p -92.77 6.98 45.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 72.31 111.413 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.406 ' HA ' ' CG2' ' A' ' 152' ' ' VAL . 6.0 ptm180 42.67 45.93 4.2 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.865 0.364 . . . . 75.4 111.396 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -83.13 122.47 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 73.51 111.135 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.503 ' O ' HG22 ' A' ' 144' ' ' THR . . . 52.44 23.22 12.74 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.886 -0.673 . . . . 62.04 113.045 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 149' ' ' ARG . 3.8 t -59.59 -50.29 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-O 120.894 0.378 . . . . 53.42 110.831 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.401 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 4.1 mp0 -61.29 -31.91 71.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 71.33 110.851 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -56.22 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 71.2 110.995 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.737 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -55.25 -43.47 74.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 63.42 111.23 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.8 -52.58 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 64.13 110.862 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 153' ' ' GLU . 15.6 m-85 -53.33 -32.51 49.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 74.11 111.109 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.77 HG21 HD11 ' A' ' 142' ' ' ILE . 7.4 m -58.64 -32.01 68.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 71.55 110.887 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.866 HD12 HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -69.35 -34.16 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 65.44 110.9 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.7 HG11 HG13 ' A' ' 46' ' ' ILE . 5.3 t -67.03 -50.36 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 72.35 111.182 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.84 -38.17 78.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 71.12 110.927 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.01 -53.03 62.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 62.32 110.888 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.435 HD11 HD12 ' A' ' 159' ' ' LEU . 75.0 mt -60.01 -37.27 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.189 -0.46 . . . . 71.24 111.387 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -44.76 70.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 74.22 111.078 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -61.95 -38.75 89.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 63.33 110.885 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.227 -0.892 . . . . 74.05 110.915 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.493 " O2'" ' CZ ' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 258' ' ' HOH . . . . . 0.442 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.527 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.771 0.319 . . . . 71.54 111.169 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.52 149.86 49.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 62.14 110.729 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -107.63 123.66 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 63.43 110.878 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -111.12 106.36 15.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 75.03 111.044 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -89.36 93.04 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 60.53 110.846 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.563 HD22 HD12 ' A' ' 159' ' ' LEU . 12.8 mt -84.39 122.26 28.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 73.23 111.112 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.544 HG23 ' HA3' ' A' ' 75' ' ' GLY . 99.5 t -98.12 102.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 53.33 110.88 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -79.73 139.28 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 63.33 111.043 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -137.58 152.13 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 64.22 111.033 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 158.57 161.83 11.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 41.23 112.529 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.817 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -61.18 159.71 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 71.45 111.04 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.52 -20.41 55.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.695 -0.764 . . . . 41.55 112.755 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.79 46.63 1.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.673 -0.775 . . . . 74.23 112.783 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 11' ' ' ALA . 34.9 m -118.46 -6.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.575 0.226 . . . . 54.42 111.608 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.06 40.67 97.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.627 -0.797 . . . . 35.31 112.41 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HA ' HD21 ' A' ' 19' ' ' LEU . 3.5 ptpt -71.04 -34.43 71.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.765 0.317 . . . . 74.21 110.861 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -32.33 64.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 44.25 111.007 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.585 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -62.87 -58.11 8.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 63.15 111.207 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD21 HG11 ' A' ' 81' ' ' VAL . 3.1 pp -56.31 -32.45 64.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.481 . . . . 74.21 111.073 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.875 HG23 HG21 ' A' ' 55' ' ' ILE . 93.0 m -70.35 -51.89 26.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 73.03 110.774 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.419 ' CD1' HG21 ' A' ' 29' ' ' VAL . 1.2 mm -58.01 -39.65 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 75.11 111.075 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.453 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 3.8 mm-40 -59.98 -41.47 92.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.389 . . . . 74.45 110.972 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 23' ' ' LEU . 2.7 tm? -76.65 -11.07 59.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 73.44 111.28 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -103.09 -75.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.76 0.314 . . . . 73.05 111.319 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -90.83 -19.12 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.373 . . . . 62.34 111.644 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 22' ' ' GLN . 10.5 m120 69.99 66.77 0.23 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.858 0.361 . . . . 74.0 111.026 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.4 ' CE1' ' CG2' ' A' ' 21' ' ' ILE . 2.5 p-80 -176.26 140.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 64.25 110.832 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.699 ' CE1' " H2'" ' A' ' 219' ' ' GNP . 1.9 t80 -66.42 146.67 54.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 61.53 110.899 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG21 ' CD1' ' A' ' 21' ' ' ILE . 36.0 m -142.34 -178.12 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.15 111.124 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -127.75 -45.08 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 51.34 110.807 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.68 58.72 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.241 -0.436 . . . . 72.52 110.874 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -113.39 140.45 48.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 75.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.12 118.19 7.02 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 74.02 110.75 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.537 ' HD2' HD12 ' A' ' 36' ' ' ILE . 49.0 Cg_endo -68.84 -39.46 8.4 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.371 2.047 . . . . 75.12 112.14 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.78 49.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 64.42 110.887 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.537 HD12 ' HD2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -146.49 169.95 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 72.12 111.318 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -98.24 55.8 1.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.051 -0.522 . . . . 71.23 110.727 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 60.51 26.09 15.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 65.31 110.899 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 t -124.76 148.49 48.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 72.51 110.944 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -150.01 144.49 25.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 75.13 110.669 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.527 ' HB2' HD12 ' A' ' 52' ' ' LEU . 13.9 ptt85 -123.85 133.27 53.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 72.44 111.008 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -129.6 147.38 51.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 73.5 110.849 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -93.7 120.41 33.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.881 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 53' ' ' LEU . 27.0 m -129.6 178.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 74.15 111.187 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.5 t -121.93 100.86 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 62.03 111.055 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.549 ' CD1' HG21 ' A' ' 160' ' ' VAL . 40.5 mt -123.47 137.75 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.07 29.96 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 44.4 110.848 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.33 28.19 66.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 33.3 112.487 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -143.66 114.09 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 63.44 110.861 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 79.9 m -56.89 129.61 42.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 63.53 110.843 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.3 m -151.6 146.79 26.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 61.43 111.03 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.527 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -82.26 142.33 32.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 75.22 110.506 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.443 HD11 HG21 ' A' ' 44' ' ' VAL . 20.2 mt -110.19 77.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.385 . . . . 42.32 111.172 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.09 102.04 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.2 110.657 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.875 HG21 HG23 ' A' ' 20' ' ' THR . 16.6 mm -91.35 108.47 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 64.04 111.259 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.571 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.4 tm? -96.07 101.36 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 75.11 110.581 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.12 107.03 17.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 75.32 110.905 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 p -76.88 -173.81 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 62.22 110.795 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.89 122.47 29.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.32 111.099 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.92 -36.46 87.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.815 -0.707 . . . . 45.41 112.439 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -168.58 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.74 0.305 . . . . 75.22 110.759 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 63.74 117.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 54.12 110.862 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.07 112.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 65.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -146.41 109.73 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 74.24 110.811 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 p -118.69 -35.05 3.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 61.44 111.179 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.33 -63.07 1.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.382 -0.372 . . . . 53.42 111.261 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.403 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 2.8 ptp -74.88 -23.39 58.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.83 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -25.82 65.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 64.44 111.11 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -82.24 -35.44 28.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 62.51 111.102 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 74' ' ' THR . 0.0 OUTLIER -66.63 -27.26 67.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.417 -0.356 . . . . 72.44 111.001 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -69.95 -44.76 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 74.02 110.875 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.563 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.1 mtt -60.7 -54.9 39.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.087 -0.506 . . . . 72.33 110.671 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 57.4 mtm180 -56.03 -22.39 27.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 72.42 111.279 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 70' ' ' GLN . 75.6 p -101.7 -4.42 26.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.366 . . . . 63.13 111.462 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.544 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -99.1 127.3 9.21 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.591 -0.814 . . . . 75.02 112.749 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.443 ' HB2' HD13 ' A' ' 163' ' ' ILE . 1.9 mm-40 -68.63 -26.47 65.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 55.32 110.856 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.642 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -148.8 -165.16 11.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.856 -0.688 . . . . 64.21 112.444 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.559 ' CE2' HG23 ' A' ' 100' ' ' ILE . 91.1 m-85 -151.6 141.32 21.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 74.01 111.017 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.836 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -122.95 118.77 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.03 110.766 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.874 ' HB3' HD12 ' A' ' 93' ' ' ILE . 64.6 m -92.68 110.86 22.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 73.1 111.054 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.49 HG11 HD21 ' A' ' 19' ' ' LEU . 47.6 t -100.31 106.65 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 72.41 110.929 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.536 ' HD1' HD11 ' A' ' 113' ' ' LEU . 0.5 OUTLIER -121.95 141.18 51.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 75.32 110.883 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.19 123.75 31.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.981 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.834 HD12 ' HB3' ' A' ' 123' ' ' ARG . 1.9 pt -66.03 -16.74 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 72.21 111.491 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.86 -34.47 26.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.812 0.339 . . . . 63.3 110.874 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -105.83 108.22 19.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 73.41 110.897 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.731 HG23 HG22 ' A' ' 125' ' ' VAL . 0.8 OUTLIER -58.18 -26.98 63.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.94 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -55.92 22.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.615 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.523 ' HB3' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -49.13 -39.52 28.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.84 -0.618 . . . . 75.31 110.879 179.775 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 17.0 t80 -61.62 -29.29 69.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 70.03 110.552 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.79 -28.7 55.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 73.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.46 -31.49 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 61.23 110.869 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 80' ' ' CYS . 25.2 mm -60.44 -27.72 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 72.01 110.922 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -73.46 -55.34 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 41.13 110.772 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -65.91 -28.67 69.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 65.2 111.252 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.412 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.8 m-85 -58.65 -37.96 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 72.25 111.119 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.431 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -65.9 -35.61 81.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 71.34 110.775 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.89 -28.72 67.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 70.41 110.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.441 ' HB3' ' HE1' ' A' ' 72' ' ' MET . 0.0 OUTLIER -77.4 -41.52 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 74.41 110.919 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 78' ' ' PHE . 15.7 mt -66.11 -49.3 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 64.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -55.39 -32.38 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 54.23 111.072 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -58.86 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.816 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' A' ' 72' ' ' MET . 43.0 t -59.35 -57.94 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.416 . . . . 75.43 110.988 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -61.61 -27.02 68.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 71.32 110.884 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.7 t70 63.02 46.94 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 72.23 110.739 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.6 148.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 72.23 110.966 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -77.21 -32.92 56.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 63.13 110.82 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.01 94.8 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 64.34 110.861 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.518 HG13 ' HD2' ' A' ' 110' ' ' PRO . 61.1 t -131.93 136.21 27.92 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-N 116.106 -0.497 . . . . 74.11 110.708 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.518 ' HD2' HG13 ' A' ' 109' ' ' VAL . 62.2 Cg_endo -74.42 101.06 1.38 Allowed 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.794 2.329 . . . . 64.12 112.253 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.71 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -143.97 168.73 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.878 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.513 HG13 ' HG2' ' A' ' 140' ' ' PRO . 27.3 t -143.12 149.32 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 71.1 111.2 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.536 HD11 ' HD1' ' A' ' 82' ' ' PHE . 10.7 tp -107.48 117.47 34.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 52.53 110.666 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.688 HG22 ' HB1' ' A' ' 155' ' ' ALA . 4.6 t -97.21 161.09 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 72.11 111.295 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.462 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -122.18 75.87 0.35 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.837 -0.696 . . . . 73.21 112.338 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -56.03 158.39 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 70.24 111.121 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.3 mttt 57.34 69.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 74.22 110.979 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.6 t -103.18 -13.13 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 71.45 111.167 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -86.57 -29.27 22.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.764 0.316 . . . . 62.44 111.021 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 120' ' ' LEU . 22.9 mt -55.03 155.06 4.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 71.1 110.945 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -110.26 35.18 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 63.44 111.342 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.01 71.39 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 33.42 111.28 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.834 ' HB3' HD12 ' A' ' 84' ' ' ILE . 2.0 ptm180 -95.72 137.54 34.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 71.35 110.869 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.5 p -103.16 -27.69 12.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.731 HG22 HG23 ' A' ' 87' ' ' THR . 80.7 t -110.61 108.14 24.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.953 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.4 160.44 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.808 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 p -54.64 -31.56 57.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.152 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -60.56 -42.48 96.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.891 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.425 ' HB2' HG13 ' A' ' 125' ' ' VAL . 3.1 mt-30 -72.63 -39.91 66.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 72.42 111.103 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -70.96 -29.76 65.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 75.31 111.202 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.89 -29.82 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.406 . . . . 64.31 110.965 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -58.32 -40.62 82.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 74.25 110.981 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.13 -50.08 17.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.23 110.838 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.24 -44.1 92.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.132 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -56.56 -41.68 77.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 74.22 110.856 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -28.89 63.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 60.12 110.787 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.445 ' HB3' HG12 ' A' ' 139' ' ' ILE . 4.6 m-30 -79.85 -28.81 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 75.02 111.02 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.77 16.79 60.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 70.35 112.57 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.71 HG21 ' HG2' ' A' ' 111' ' ' MET . 4.7 pt -110.11 157.08 38.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 72.53 111.472 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.513 ' HG2' HG13 ' A' ' 112' ' ' VAL . 57.1 Cg_endo -71.32 154.78 61.12 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.584 2.189 . . . . 72.44 112.206 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -127.24 118.21 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.94 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.901 HD12 ' HA ' ' A' ' 155' ' ' ALA . 0.2 OUTLIER -124.56 160.15 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 61.42 110.873 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -123.93 138.22 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.697 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 151' ' ' GLY . 28.9 p -145.08 162.03 37.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 75.14 111.182 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.4 p -126.04 122.35 35.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 74.22 110.751 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.585 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -78.57 -21.62 48.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 71.44 111.516 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.409 ' HB2' ' C6 ' ' A' ' 219' ' ' GNP . 31.3 tptt -85.06 -38.43 19.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.741 0.305 . . . . 73.52 111.209 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -102.08 -19.35 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 70.44 111.508 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 63.82 65.58 0.71 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.926 0.393 . . . . 73.43 110.666 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -124.58 106.97 10.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 53.12 111.047 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.446 ' O ' HG22 ' A' ' 144' ' ' THR . . . 85.15 2.63 87.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 74.14 112.918 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.7 t -52.67 -47.4 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.772 0.32 . . . . 34.21 111.417 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.56 ' HG3' HD23 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -64.04 -31.4 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 72.25 110.775 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -54.64 -54.57 39.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.066 -0.516 . . . . 60.53 111.037 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.901 ' HA ' HD12 ' A' ' 142' ' ' ILE . . . -56.26 -50.57 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 51.0 111.18 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.412 ' HZ ' HD12 ' A' ' 19' ' ' LEU . 45.9 m-85 -61.4 -49.77 75.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.894 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -59.04 -36.12 74.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 74.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.515 HG21 HD11 ' A' ' 142' ' ' ILE . 86.6 m -59.61 -41.62 90.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 50.42 110.826 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.836 HD23 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -59.99 -39.87 87.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 73.22 110.594 179.681 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.549 HG21 ' CD1' ' A' ' 46' ' ' ILE . 19.8 t -59.34 -37.82 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 72.45 110.978 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -76.36 -38.57 55.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 74.4 110.878 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.41 -45.26 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 71.23 110.78 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.443 HD13 ' HB2' ' A' ' 76' ' ' GLU . 89.6 mt -60.53 -57.11 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.952 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -51.5 -32.7 28.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 62.23 111.159 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.0 -37.93 89.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 73.5 110.862 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.168 -0.92 . . . . 75.34 110.877 -179.931 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.699 " H2'" ' CE1' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.972 0.415 . . . . 75.21 111.225 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.86 145.01 26.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.804 -0.635 . . . . 61.24 110.786 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -94.42 130.71 40.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 75.41 110.692 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -125.3 120.22 30.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.122 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -83.16 119.05 24.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.22 110.621 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.53 ' HB2' HD13 ' A' ' 55' ' ' ILE . 4.0 mm? -110.1 95.32 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.389 -0.369 . . . . 55.23 110.988 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.1 t -81.28 102.31 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.959 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.3 t -82.85 140.92 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 63.31 111.153 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.432 HG12 HH22 ' A' ' 68' ' ' ARG . 35.9 m -149.82 153.16 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 72.01 111.026 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.477 ' HA3' HG21 ' A' ' 14' ' ' VAL . . . -174.01 -85.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.561 -0.828 . . . . 64.42 112.621 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -178.91 -173.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 43.14 111.073 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.76 45.07 2.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.774 -0.726 . . . . 75.15 112.551 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.443 ' HA2' " O5'" ' A' ' 219' ' ' GNP . . . 165.4 41.99 0.02 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.773 -0.727 . . . . 71.23 112.474 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.477 HG21 ' HA3' ' A' ' 10' ' ' GLY . 6.6 m -117.91 -13.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.02 0.378 . . . . 71.35 112.02 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.477 ' HA3' ' H8 ' ' A' ' 219' ' ' GNP . . . 84.18 25.82 42.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.516 -0.85 . . . . 74.34 112.283 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HE3' ' O ' ' A' ' 258' ' ' HOH . 16.4 pttt -58.61 -45.04 90.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.932 0.396 . . . . 70.34 110.828 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.9 p -72.16 -34.66 68.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.917 -0.583 . . . . 72.35 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.552 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -56.45 -61.37 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 73.24 111.206 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.13 -27.16 52.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 50.15 111.015 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.897 HG23 HG21 ' A' ' 55' ' ' ILE . 32.1 m -67.91 -48.41 66.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 73.24 110.889 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.401 HD11 ' CZ ' ' A' ' 40' ' ' TYR . 1.4 mp -70.5 -30.01 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 64.15 110.652 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -59.2 -37.75 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.54 110.854 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tp -76.68 -62.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 73.23 111.164 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.46 -48.36 80.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 72.15 110.964 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -112.61 -130.05 0.31 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.235 -0.439 . . . . 51.01 110.077 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 p30 175.92 40.19 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.093 0 O-C-N 122.063 -0.398 . . . . 71.43 110.882 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -120.49 -11.71 9.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.273 -0.421 . . . . 64.54 111.564 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.2 t80 64.05 86.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 64.02 110.738 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.38 139.47 20.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 71.25 111.12 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -88.84 -56.69 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 61.25 110.732 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.504 ' HA ' ' O ' ' A' ' 252' ' ' HOH . 0.0 OUTLIER -179.91 69.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.253 -0.43 . . . . 55.24 110.96 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.18 140.43 25.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 75.51 110.699 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.07 116.74 6.75 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 65.55 110.828 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.54 74.33 4.31 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.585 2.19 . . . . 75.44 112.332 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.6 m 59.04 32.38 22.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 54.13 111.019 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 pt -110.95 176.06 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.31 111.126 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -105.77 27.46 8.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.96 -0.564 . . . . 73.41 111.101 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.97 26.44 15.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 64.31 110.957 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 t -107.99 146.97 31.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 63.11 111.046 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CZ ' HD11 ' A' ' 21' ' ' ILE . 7.1 m-85 -149.95 128.33 12.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 73.54 110.681 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.521 ' HB2' HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -105.59 133.67 49.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 73.25 111.123 -179.788 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -127.95 144.33 51.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.897 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -96.15 118.59 33.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 70.14 110.973 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.447 HG21 HD11 ' A' ' 53' ' ' LEU . 32.7 m -131.18 171.88 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 73.22 111.212 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 45' ' ' VAL . 9.0 p -128.29 102.47 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 60.21 111.019 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.742 HD13 HG21 ' A' ' 160' ' ' VAL . 3.5 mt -117.64 137.82 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 73.43 110.808 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.86 30.46 14.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.721 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.74 33.9 88.5 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.74 -0.743 . . . . 64.11 112.437 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -146.33 102.26 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 70.32 111.045 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.3 m -57.57 128.41 36.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 74.31 111.01 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 58.5 m -149.6 147.37 28.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 51.1 110.912 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -78.32 149.78 33.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 74.3 110.851 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.473 HD21 HG22 ' A' ' 160' ' ' VAL . 31.7 mt -123.72 75.43 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 71.42 110.929 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.33 97.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.4 110.878 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.897 HG21 HG23 ' A' ' 20' ' ' THR . 21.6 mm -80.76 109.68 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 73.43 111.102 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -101.91 104.31 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 71.4 110.738 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -109.29 134.22 52.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.756 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.8 p -99.7 -173.74 2.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.865 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.01 146.1 27.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 23.22 111.187 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.68 -26.04 21.2 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.815 -0.707 . . . . 50.23 112.484 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -107.94 -177.27 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 62.13 110.835 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 63.66 166.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.846 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.42 128.44 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 60.23 110.942 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -155.94 105.01 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 71.12 110.841 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.39 -38.47 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 75.24 111.015 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.12 -55.98 22.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 74.42 111.282 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mtm -76.54 -23.89 53.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 72.35 111.085 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.432 HH22 HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -58.31 -40.06 81.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.402 -0.363 . . . . 71.24 110.907 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -74.48 -31.67 62.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 72.42 110.82 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.559 ' O ' HG23 ' A' ' 74' ' ' THR . 12.6 tt0 -66.05 -38.89 89.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.25 110.869 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -59.54 -39.6 84.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.124 -0.489 . . . . 74.33 111.056 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.53 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.5 mtt -71.97 -46.47 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 64.22 110.699 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.411 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 63.6 mtp180 -67.13 -14.33 62.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.932 -0.576 . . . . 65.23 111.431 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 70' ' ' GLN . 56.1 p -102.84 -23.0 13.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.762 0.315 . . . . 73.5 111.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.416 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -92.56 152.47 21.15 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.676 -0.773 . . . . 63.31 112.888 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -95.52 -15.55 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.613 0.244 . . . . 74.31 111.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.46 -175.55 19.54 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.649 -0.786 . . . . 71.45 112.382 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.529 ' CE1' HG23 ' A' ' 100' ' ' ILE . 73.1 m-85 -152.81 132.34 12.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 74.12 111.139 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.931 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -113.51 111.48 21.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 72.11 110.776 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.669 ' HB3' HD12 ' A' ' 93' ' ' ILE . 3.5 m -93.7 124.03 37.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.823 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.789 ' O ' HD11 ' A' ' 93' ' ' ILE . 3.2 m -115.8 146.13 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 73.31 111.11 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.405 ' HB3' HG13 ' A' ' 93' ' ' ILE . 0.2 OUTLIER -147.22 140.42 25.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.094 -0.503 . . . . 62.12 110.94 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 117' ' ' LYS . . . -89.42 126.64 35.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 62.33 111.022 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.7 HD12 ' HB2' ' A' ' 123' ' ' ARG . 5.1 pt -62.11 -29.98 47.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 61.32 111.161 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -79.02 -24.51 43.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 35.43 111.101 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -110.61 108.26 18.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.405 -0.361 . . . . 64.22 110.744 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 m -70.08 -24.21 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.42 111.083 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -54.22 -41.54 68.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.379 -0.373 . . . . 71.54 111.051 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 m -58.82 -46.12 88.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 74.54 110.847 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.548 ' CE1' HD12 ' A' ' 133' ' ' LEU . 36.0 t80 -54.64 -24.28 20.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 62.43 111.144 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -79.79 -45.76 18.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.326 -0.397 . . . . 73.32 111.143 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.414 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 18.9 m-20 -69.12 -33.61 73.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 70.21 111.129 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.789 HD11 ' O ' ' A' ' 81' ' ' VAL . 23.8 mm -59.68 -26.12 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 116.416 -0.356 . . . . 73.51 111.029 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -76.04 -55.26 5.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 74.14 110.793 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -67.1 -33.95 76.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 75.41 111.28 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 3.7 m-85 -60.19 -48.98 79.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 63.42 110.995 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.436 ' HD2' ' CE1' ' A' ' 137' ' ' TYR . 2.7 ttt180 -54.99 -31.6 61.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 72.14 110.937 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -66.87 -34.95 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 71.33 110.743 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -38.27 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.694 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.529 HG23 ' CE1' ' A' ' 78' ' ' PHE . 32.3 mt -64.54 -47.1 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 53.52 110.837 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -62.21 -27.49 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 54.22 111.071 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -72.46 -58.94 2.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 70.22 110.749 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.53 HG11 ' HB2' ' A' ' 72' ' ' MET . 48.1 t -62.55 -51.27 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 74.44 110.971 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -64.87 -26.24 68.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 75.22 110.813 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 t0 64.96 40.27 5.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 74.02 110.773 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t -157.02 146.23 20.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 45.3 110.78 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -86.03 -26.32 25.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 64.13 111.112 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -105.9 89.67 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.406 -0.361 . . . . 75.1 111.068 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.451 HG21 HG21 ' A' ' 100' ' ' ILE . 24.4 m -116.52 152.58 48.38 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 74.24 111.011 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.93 100.95 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.556 2.171 . . . . 73.43 112.222 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.711 ' HG3' HG21 ' A' ' 139' ' ' ILE . 12.7 ptp -147.99 166.17 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 73.22 111.052 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.801 HG23 HD22 ' A' ' 159' ' ' LEU . 59.3 t -143.7 145.22 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 71.11 111.082 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.2 tp -106.35 103.62 13.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 72.2 110.704 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.792 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 20.3 t -96.81 147.2 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.916 0.389 . . . . 51.24 111.241 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.56 96.36 0.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 71.11 112.437 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -73.29 165.56 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 73.14 110.84 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.403 ' HD2' ' HB1' ' A' ' 83' ' ' ALA . 19.9 mttt 61.17 60.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 72.25 110.852 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 23.9 t -97.86 -15.58 20.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 74.13 111.102 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.503 ' CG ' HG21 ' A' ' 148' ' ' THR . 21.1 t70 -93.31 20.59 6.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.59 -0.277 . . . . 74.25 111.212 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 120' ' ' LEU . 15.0 mt -93.62 174.54 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.722 0.296 . . . . 65.03 110.784 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.79 26.88 9.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 74.21 111.024 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.55 76.93 1.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 54.22 111.272 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.7 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -89.4 107.61 19.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 60.41 110.589 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 33.5 p -83.4 -48.83 9.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.837 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.5 t -83.74 102.86 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 71.55 111.009 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -58.26 159.66 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 65.45 110.903 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.8 t -56.12 -43.64 78.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 54.02 111.056 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -55.72 -37.33 68.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.958 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -69.94 -36.45 75.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.988 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.51 ' HB1' ' CZ ' ' A' ' 141' ' ' TYR . . . -73.29 -41.81 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 73.33 111.129 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -29.31 69.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 64.41 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.41 -44.87 72.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 71.33 111.042 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.548 HD12 ' CE1' ' A' ' 90' ' ' PHE . 20.8 mt -72.08 -47.65 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 52.2 111.025 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -59.82 -38.35 81.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 54.31 111.052 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -76.18 -34.52 59.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.844 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.6 t -74.76 -31.42 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 64.33 110.63 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.436 ' CE1' ' HD2' ' A' ' 97' ' ' ARG . 21.6 m-85 -89.4 -20.43 23.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 63.15 111.033 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.01 17.63 64.8 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.709 -0.758 . . . . 51.01 112.541 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.711 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.4 pt -112.38 156.55 42.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.328 . . . . 73.22 111.487 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.5 ' HG2' HG13 ' A' ' 112' ' ' VAL . 47.2 Cg_endo -69.84 161.99 43.83 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.64 2.227 . . . . 72.5 112.524 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.51 ' CZ ' ' HB1' ' A' ' 130' ' ' ALA . 18.1 t80 -131.4 102.57 6.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 72.21 110.583 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.807 HD11 HG21 ' A' ' 158' ' ' THR . 4.6 mp -105.34 143.47 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 75.52 111.2 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -108.7 132.2 54.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.844 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 19.9 p -149.82 171.48 16.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 71.44 111.182 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.18 128.35 25.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.001 -0.545 . . . . 63.11 110.594 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.552 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -73.0 -14.28 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.14 111.545 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -83.81 -66.12 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.298 . . . . 72.31 111.242 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.503 HG21 ' CG ' ' A' ' 119' ' ' ASP . 47.6 p -77.98 -18.71 55.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 61.22 111.273 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 64.25 60.28 0.97 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.951 0.405 . . . . 60.3 110.709 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -112.43 115.55 28.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 74.31 110.952 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 75.23 9.02 84.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.837 -0.697 . . . . 73.3 112.997 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.83 -54.27 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 120.814 0.34 . . . . 74.0 111.214 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.34 -31.34 70.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.859 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -55.9 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 74.32 110.961 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.792 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -55.74 -48.16 75.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 45.12 111.091 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -58.88 -52.99 63.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 63.34 110.944 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -55.05 -27.48 44.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 73.42 111.108 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.807 HG21 HD11 ' A' ' 142' ' ' ILE . 3.7 m -57.4 -40.25 77.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.359 -0.382 . . . . 64.05 110.888 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.931 HD23 HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -63.5 -43.92 95.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 73.4 110.623 179.777 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.742 HG21 HD13 ' A' ' 46' ' ' ILE . 43.7 t -52.53 -49.53 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.993 -0.549 . . . . 63.42 111.27 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -34.5 77.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 73.22 110.645 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -49.48 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 75.41 110.818 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.452 HD11 HD12 ' A' ' 159' ' ' LEU . 43.9 mt -59.95 -38.95 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.322 -0.399 . . . . 74.43 111.041 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -51.77 -28.14 14.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 70.21 110.848 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -118.58 78.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 75.04 110.9 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 6.5 t60 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.246 -0.883 . . . . 72.35 110.756 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.857 ' PA ' " H3'" ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 252' ' ' HOH . . . . . 0.504 ' O ' ' HA ' ' A' ' 31' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 258' ' ' HOH . . . . . 0.446 ' O ' ' HE3' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.567 ' HG3' HD12 ' A' ' 52' ' ' LEU . 1.8 pmm? . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.878 0.37 . . . . 72.34 111.413 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.412 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 1.0 OUTLIER -95.04 137.51 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 75.12 110.731 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.682 ' HG3' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -93.23 120.9 34.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.497 . . . . 71.42 111.001 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.412 ' CZ ' HG21 ' A' ' 2' ' ' THR . 44.4 m-85 -111.42 157.43 20.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 70.21 110.911 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.86 101.12 7.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 74.15 110.796 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.793 HD22 HD23 ' A' ' 159' ' ' LEU . 13.9 mt -91.28 112.57 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 74.2 110.94 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.827 HG13 HD23 ' A' ' 56' ' ' LEU . 61.6 t -94.06 102.13 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 45.04 111.332 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.88 140.09 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 74.12 110.843 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.33 -178.67 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 60.13 111.219 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.78 165.57 13.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.854 -0.688 . . . . 43.15 112.553 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.686 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -58.16 141.18 51.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.701 0.286 . . . . 75.31 111.085 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.43 -24.85 11.78 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.889 -0.672 . . . . 74.12 112.764 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.03 49.65 1.0 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 52.1 112.493 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 11' ' ' ALA . 32.7 m -116.34 -9.37 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.575 0.226 . . . . 43.43 111.606 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.77 5.36 78.04 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.706 -0.759 . . . . 65.44 112.767 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.537 ' H ' HG23 ' A' ' 14' ' ' VAL . 3.0 pttt -59.06 -36.26 74.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.879 0.371 . . . . 75.33 110.774 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -58.83 -38.91 79.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 62.53 110.637 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.563 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -69.22 -43.96 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 53.13 111.28 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.618 HD22 HG13 ' A' ' 152' ' ' VAL . 65.9 mt -58.1 -49.55 76.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 65.41 111.071 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.848 HG23 HG21 ' A' ' 55' ' ' ILE . 89.4 m -58.69 -58.88 6.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 75.44 110.991 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.509 HG21 ' CE1' ' A' ' 27' ' ' HIS . 47.1 mm -59.06 -28.86 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.35 111.015 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -73.3 -42.02 62.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.39 -0.368 . . . . 71.45 110.912 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.876 HD13 ' CD2' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -76.31 -8.8 57.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.41 111.348 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.7 mm -114.61 -68.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.834 0.35 . . . . 63.53 111.229 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -84.34 -25.96 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 52.52 111.249 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 67.28 68.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.064 0.459 . . . . 65.53 110.908 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.509 ' CE1' HG21 ' A' ' 21' ' ' ILE . 12.3 p80 -176.48 139.32 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.941 -0.572 . . . . 71.12 110.567 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.448 ' CE1' " O2'" ' A' ' 219' ' ' GNP . 6.6 t80 -62.34 134.71 56.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.245 -0.434 . . . . 72.32 110.706 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 32' ' ' TYR . 7.1 t -59.72 151.31 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.973 0.416 . . . . 75.53 111.057 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -165.09 -44.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.891 -0.595 . . . . 71.24 110.703 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.22 67.93 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.827 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.452 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -134.51 162.85 31.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 75.11 110.809 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -57.62 119.96 37.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 75.1 110.938 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.79 -49.96 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.368 2.045 . . . . 74.3 112.709 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.582 ' O ' HG23 ' A' ' 36' ' ' ILE . 58.6 m -121.52 112.84 18.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 74.15 111.035 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -160.45 178.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 65.34 111.16 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -121.82 8.79 9.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.756 -0.656 . . . . 74.11 111.425 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.95 63.69 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.938 0.399 . . . . 72.11 110.543 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.3 p -54.06 147.39 12.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.021 -0.536 . . . . 71.33 111.083 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -97.1 162.52 13.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 73.15 110.876 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -145.07 112.48 6.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 74.43 110.935 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -126.06 132.71 51.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 62.11 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -87.66 136.0 33.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.923 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.55 HG21 HD11 ' A' ' 53' ' ' LEU . 26.9 m -139.17 176.1 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 71.42 111.098 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.96 100.84 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 74.12 111.152 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.6 mm -90.41 103.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 62.32 111.069 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 60.43 34.9 20.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.43 110.935 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.39 -35.54 4.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 74.14 112.617 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -80.49 123.31 27.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 60.32 110.859 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.9 m -78.24 127.06 31.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 54.34 110.911 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 m -142.21 146.24 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 75.35 110.765 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.682 HD22 ' HG3' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -78.35 149.01 33.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 63.14 110.828 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.55 HD11 HG21 ' A' ' 44' ' ' VAL . 57.7 mt -125.47 91.81 3.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 54.31 110.927 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -85.96 97.95 10.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 73.34 110.847 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.848 HG21 HG23 ' A' ' 20' ' ' THR . 14.1 mm -83.45 110.2 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.108 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.827 HD23 HG13 ' A' ' 7' ' ' VAL . 18.3 tp -83.61 129.05 34.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.809 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -106.0 101.26 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 73.11 110.665 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.7 p -75.43 -176.86 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 71.21 110.986 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 63' ' ' GLU . . . -113.95 154.7 27.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.175 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.25 -9.57 9.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 61.24 112.836 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -139.05 29.34 2.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.778 0.323 . . . . 73.24 111.264 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.33 -81.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.402 -0.363 . . . . 75.13 111.102 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 59' ' ' ALA . 5.4 mt-10 -78.26 81.81 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.408 -0.36 . . . . 74.24 110.924 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -138.73 149.57 45.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.895 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 t 63.19 -78.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.505 . . . . 20.1 111.093 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.64 -59.35 4.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 72.52 111.2 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -76.82 -33.38 57.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 71.02 110.842 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -60.67 -29.46 69.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 63.12 110.925 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -27.96 61.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 73.51 111.177 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -69.76 -33.09 71.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.323 -0.399 . . . . 74.43 110.957 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -72.27 -36.08 68.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 73.51 111.051 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.691 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.9 mtt -58.35 -36.05 72.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.307 -0.406 . . . . 74.12 110.94 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -75.59 -16.02 60.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 71.13 111.351 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.5 p -107.0 -18.68 13.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.51 -0.313 . . . . 62.41 111.313 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.88 144.46 17.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 31.14 112.604 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.02 -17.29 29.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.658 0.266 . . . . 62.53 111.165 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.05 -178.84 27.15 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.755 -0.736 . . . . 71.31 112.395 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.512 ' CE1' HG23 ' A' ' 100' ' ' ILE . 36.1 m-85 -148.63 144.51 27.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.868 0.366 . . . . 72.12 111.231 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.576 HD12 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -121.81 121.42 37.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 75.53 110.742 179.785 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.871 ' HB3' HD12 ' A' ' 93' ' ' ILE . 82.9 m -95.96 112.14 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 60.24 110.965 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.2 t -99.62 111.0 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 74.04 111.027 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -116.08 159.56 21.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 71.24 110.631 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.18 124.27 50.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 61.21 110.99 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.792 HD12 ' CB ' ' A' ' 123' ' ' ARG . 1.4 pt -65.39 -28.08 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.916 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -82.64 -8.64 59.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.984 -0.553 . . . . 73.22 111.113 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -123.66 106.67 10.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.752 0.311 . . . . 75.41 110.711 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.2 m -64.1 -29.93 71.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 70.12 111.065 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.18 -47.65 84.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 72.22 111.068 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.4 p -55.18 -45.43 75.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 75.34 111.157 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 28.2 t80 -59.33 -37.36 77.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 72.13 110.933 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.43 -27.72 61.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 72.31 111.109 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.447 ' HA ' ' NE2' ' A' ' 95' ' ' GLN . 67.3 m-20 -76.35 -45.4 32.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 62.35 111.144 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.871 HD12 ' HB3' ' A' ' 80' ' ' CYS . 24.0 mm -47.72 -29.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 74.02 111.005 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -64.2 -54.04 39.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.547 . . . . 63.33 110.868 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.514 ' HG2' ' N ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -68.33 -29.85 68.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 73.35 110.958 -179.437 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.514 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 8.6 m-85 -59.54 -29.52 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.946 -0.57 . . . . 73.54 110.904 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.436 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -73.24 -38.45 66.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.384 . . . . 71.33 110.38 179.654 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.57 -27.48 49.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 75.34 110.864 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -76.5 -33.15 58.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 73.42 110.809 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.522 ' CG2' HG21 ' A' ' 109' ' ' VAL . 54.8 mt -73.02 -49.16 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 61.35 110.924 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -55.48 -38.62 69.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 73.13 111.075 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -59.11 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 75.44 111.024 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.691 HG11 ' HB2' ' A' ' 72' ' ' MET . 41.4 t -61.13 -52.91 56.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 71.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -62.7 -24.66 67.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 72.44 110.764 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.98 35.8 7.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.42 . . . . 73.54 110.706 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.1 t -158.83 140.75 13.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 63.14 110.718 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -74.52 -42.71 58.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 70.31 111.196 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -90.01 82.94 6.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 72.34 111.174 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.522 HG21 ' CG2' ' A' ' 100' ' ' ILE . 25.1 m -105.91 152.44 40.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.347 -0.388 . . . . 72.24 110.881 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.92 109.87 2.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.492 2.128 . . . . 74.31 112.321 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.789 ' HG3' HG21 ' A' ' 139' ' ' ILE . 14.3 ptp -157.04 171.11 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 62.34 111.035 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.553 HG13 ' HG2' ' A' ' 140' ' ' PRO . 47.0 t -143.05 150.51 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 62.31 111.112 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 80' ' ' CYS . 6.9 tp -114.09 112.1 22.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.725 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.822 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 20.9 t -105.15 142.29 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 75.23 111.385 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.45 82.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.881 -0.676 . . . . 70.21 112.364 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -63.71 176.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 74.41 111.031 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.46 ' CA ' HD23 ' A' ' 120' ' ' LEU . 0.0 OUTLIER 60.61 75.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.2 110.822 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 2.6 t -105.1 -25.37 12.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 75.11 111.182 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -99.37 15.66 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.411 -0.359 . . . . 54.34 111.481 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.46 HD23 ' CA ' ' A' ' 117' ' ' LYS . 3.4 mm? -65.05 -20.52 66.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.741 0.305 . . . . 72.25 111.114 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 59.64 19.42 8.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.37 . . . . 34.1 111.284 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -150.67 49.13 0.87 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.816 0.341 . . . . 74.42 111.084 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.792 ' CB ' HD12 ' A' ' 84' ' ' ILE . 6.7 ptp85 -66.41 158.91 28.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 61.42 111.055 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.0 p -128.34 -47.58 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 51.42 110.709 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.6 t -90.76 102.33 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 40.35 111.013 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.08 162.88 1.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.02 110.933 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.4 m -58.56 -43.39 89.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.545 . . . . 65.12 111.197 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -55.4 -50.46 69.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.416 . . . . 71.44 111.086 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -57.41 -41.81 81.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 73.01 111.014 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -70.83 -29.78 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 53.33 111.128 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -29.65 61.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.958 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.56 -44.33 80.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 72.42 110.925 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 16.0 tp -71.7 -49.23 41.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 64.44 110.878 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.62 82.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 72.44 111.153 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 71.44 110.869 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.7 t -70.76 -33.32 70.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 70.02 110.619 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.461 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 4.1 m-30 -74.63 -26.71 60.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 75.42 110.989 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.82 15.02 62.02 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.807 -0.711 . . . . 62.3 112.703 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.789 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.4 pt -113.54 156.62 43.16 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.765 0.317 . . . . 74.43 111.406 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.553 ' HG2' HG13 ' A' ' 112' ' ' VAL . 52.6 Cg_endo -70.05 163.29 39.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.535 2.157 . . . . 73.02 112.138 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -131.56 104.93 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 72.2 110.805 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.921 HD11 HG21 ' A' ' 158' ' ' THR . 1.9 mp -108.47 149.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 65.41 111.047 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -118.51 132.07 56.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 62.32 110.707 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 151' ' ' GLY . 10.0 p -141.23 -178.1 5.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 64.02 111.017 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.514 ' HG ' ' CB ' ' A' ' 148' ' ' THR . 24.4 p -147.52 123.83 10.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.008 -0.542 . . . . 72.01 110.657 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.563 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.87 -33.29 68.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.338 -0.392 . . . . 74.12 111.316 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -78.72 -49.71 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 52.24 111.147 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.514 ' CB ' ' HG ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -81.48 -23.43 37.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.391 . . . . 72.13 111.231 -179.79 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.72 ' HD2' HG21 ' A' ' 152' ' ' VAL . 27.0 mmm-85 61.46 65.77 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.92 0.391 . . . . 74.01 110.617 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -122.1 124.9 44.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 61.15 111.035 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 144' ' ' THR . . . 54.08 24.45 28.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.904 -0.665 . . . . 71.21 112.818 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.72 HG21 ' HD2' ' A' ' 149' ' ' ARG . 21.9 t -58.64 -55.39 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 62.24 111.056 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.439 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 9.7 mt-10 -64.29 -30.03 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 64.14 110.947 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -58.86 -33.25 70.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.255 -0.43 . . . . 73.33 110.923 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.822 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -71.7 -39.26 70.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 62.25 111.218 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.876 ' CD2' HD13 ' A' ' 23' ' ' LEU . 41.7 m-85 -72.83 -49.49 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.248 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.8 m-85 -53.65 -30.74 44.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 73.51 111.202 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.921 HG21 HD11 ' A' ' 142' ' ' ILE . 79.3 m -58.34 -40.94 83.52 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.917 0.389 . . . . 73.43 110.84 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.793 HD23 HD22 ' A' ' 6' ' ' LEU . 49.0 tp -61.4 -40.58 94.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 54.44 110.522 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.7 t -51.74 -47.78 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.953 -0.567 . . . . 75.43 111.134 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -67.98 -28.7 67.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.765 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -72.77 -52.23 15.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 72.41 110.824 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 29.2 mt -57.59 -48.32 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.291 -0.413 . . . . 71.23 111.127 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -57.05 -38.14 72.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.802 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 75.32 110.795 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.266 -0.874 . . . . 62.43 110.88 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.509 ' O2A' ' O2B' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.691 ' SD ' HG22 ' A' ' 50' ' ' THR . 2.6 tpp . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.918 0.39 . . . . 74.0 111.221 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.473 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -83.87 149.75 26.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 55.01 110.696 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -104.45 117.71 34.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 72.34 110.749 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.473 ' CZ ' HG21 ' A' ' 2' ' ' THR . 47.6 m-85 -109.1 108.81 19.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 53.02 111.135 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.08 91.95 9.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.722 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.874 HD12 ' CD1' ' A' ' 55' ' ' ILE . 10.7 mt -88.47 112.23 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.032 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.428 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 94.8 t -87.8 133.84 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 120.987 0.422 . . . . 51.35 111.007 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 t -116.65 117.06 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 115.811 -0.631 . . . . 74.41 111.134 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.594 HG12 HH12 ' A' ' 68' ' ' ARG . 32.8 m -94.11 167.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 72.11 110.987 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.411 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -120.23 -170.05 14.18 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 73.42 112.57 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.544 ' HB3' ' OG ' ' A' ' 89' ' ' SER . . . 178.36 37.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 72.14 111.345 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.73 135.3 0.01 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.837 -0.697 . . . . 73.01 112.867 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.23 22.95 63.67 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.854 -0.689 . . . . 44.31 112.911 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.692 HG23 ' NZ ' ' A' ' 16' ' ' LYS . 13.1 m -123.15 102.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 71.11 111.249 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.74 60.29 2.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.848 -0.691 . . . . 74.31 112.536 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.692 ' NZ ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -64.33 -19.05 65.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 72.13 110.941 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -80.01 -35.72 36.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.909 0.385 . . . . 55.24 110.817 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.584 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -56.49 -54.91 40.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.939 -0.573 . . . . 75.25 111.085 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 pp -59.63 -26.58 65.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 65.5 111.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 m -65.43 -52.39 53.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 73.14 111.199 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.505 HD11 ' CZ ' ' A' ' 40' ' ' TYR . 1.2 mp -60.86 -28.55 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.22 111.1 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -55.31 -40.81 71.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 62.43 110.873 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 tp -76.71 -39.62 51.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.921 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.468 HD13 ' HG2' ' A' ' 42' ' ' LYS . 24.2 mm -61.78 -55.04 26.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.349 -0.387 . . . . 53.3 111.196 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -125.84 -98.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 64.31 110.766 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.5 p30 168.35 68.95 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.874 0.368 . . . . 44.1 110.932 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' CE1' HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -173.69 144.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 73.41 110.717 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.433 ' CE1' " O2'" ' A' ' 219' ' ' GNP . 1.3 t80 -67.17 109.25 2.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 74.32 110.868 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.454 HG11 HD13 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -86.08 155.73 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 62.04 111.14 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -113.76 -57.95 2.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.519 . . . . 75.34 110.822 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -179.11 65.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 73.14 110.979 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.0 141.39 52.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.304 -0.407 . . . . 73.45 110.719 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -142.14 117.28 6.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 72.22 110.956 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.12 -35.31 2.45 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.509 2.139 . . . . 75.14 112.027 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.7 40.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.867 -0.606 . . . . 72.31 110.49 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.456 ' CD1' ' CE2' ' A' ' 40' ' ' TYR . 17.4 pt -139.38 -173.9 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.822 -0.626 . . . . 75.54 110.903 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -117.45 -49.66 2.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.123 0.487 . . . . 75.44 111.198 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -177.53 35.03 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.46 -0.791 . . . . 74.33 110.672 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 t -137.86 157.39 46.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 64.15 111.345 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 21' ' ' ILE . 7.4 m-85 -149.17 168.42 23.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.965 -0.562 . . . . 70.02 110.601 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 ptt85 -143.42 139.54 29.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 74.22 110.788 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.468 ' HG2' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -133.29 138.77 46.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.832 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -100.72 114.73 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 74.52 110.96 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.6 m -132.4 -174.65 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.862 -0.608 . . . . 72.14 110.708 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 45' ' ' VAL . 6.2 p -127.85 109.03 19.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 70.14 111.15 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.916 HG13 HG11 ' A' ' 160' ' ' VAL . 4.2 mm -97.62 115.37 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.887 -0.597 . . . . 64.23 111.002 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t70 65.22 42.18 4.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 75.41 111.052 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.66 21.7 69.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 55.1 112.769 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -127.8 97.14 4.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.832 0.349 . . . . 73.41 110.751 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.691 HG22 ' SD ' ' A' ' 1' ' ' MET . 68.5 m -52.11 132.64 33.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.54 111.006 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 62.3 m -154.42 157.1 37.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 74.24 110.826 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.82 140.14 29.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.839 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.2 mt -122.43 90.95 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 73.23 110.943 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.24 91.38 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 71.1 110.806 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.874 ' CD1' HD12 ' A' ' 6' ' ' LEU . 10.0 mm -78.88 114.59 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 75.53 110.975 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.626 HD21 ' CG2' ' A' ' 58' ' ' THR . 0.4 OUTLIER -98.52 123.35 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 74.3 110.765 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -118.07 92.62 3.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 73.5 110.832 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.626 ' CG2' HD21 ' A' ' 56' ' ' LEU . 16.4 p -75.44 -175.97 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 74.05 110.842 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.79 160.11 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 71.12 111.243 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.65 -76.2 1.08 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.777 -0.725 . . . . 53.4 112.528 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -124.5 112.86 17.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 60.22 110.983 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.18 165.96 21.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.25 110.849 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -91.03 59.47 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.126 0.489 . . . . 73.43 110.925 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -121.85 86.11 2.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.818 -0.628 . . . . 70.34 110.854 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.55 -28.18 18.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 63.21 110.939 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.0 -54.27 46.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 72.45 111.192 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.3 mtm -67.84 -31.01 70.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 62.22 110.854 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.594 HH12 HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -59.0 -39.57 82.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 75.32 110.805 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.96 -23.61 62.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 65.43 110.661 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -78.46 -48.01 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.813 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -72.95 -48.86 33.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.915 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.9 mtt -56.64 -33.1 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 75.03 110.841 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.43 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 72.3 mtp180 -81.12 -21.57 39.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 75.23 111.018 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.3 p -103.6 12.8 34.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 53.23 111.131 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.09 134.14 12.05 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.468 -0.872 . . . . 74.41 112.728 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -80.9 -17.06 51.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.654 0.264 . . . . 53.33 111.127 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -160.55 167.74 35.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 73.01 112.435 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.547 ' CE2' HG23 ' A' ' 100' ' ' ILE . 99.0 m-85 -132.14 138.04 47.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 73.34 111.079 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.067 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -116.25 123.31 47.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.679 179.728 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.833 ' HB3' HD12 ' A' ' 93' ' ' ILE . 88.1 m -96.22 105.73 17.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 71.35 110.97 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.5 t -102.04 111.39 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 72.33 111.072 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.586 ' CD1' HD11 ' A' ' 113' ' ' LEU . 8.5 p90 -124.14 144.59 49.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.03 110.791 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.13 123.69 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 71.22 110.979 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.679 HD12 ' HB2' ' A' ' 123' ' ' ARG . 4.3 pt -61.71 -26.02 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.303 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -76.46 -28.82 56.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 60.3 111.098 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -108.38 111.11 22.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 75.11 110.909 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.9 m -72.23 -24.29 61.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.182 -0.463 . . . . 61.4 111.062 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -59.25 -37.41 77.51 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.896 0.379 . . . . 75.52 110.589 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.544 ' OG ' ' HB3' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -70.76 -33.48 70.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 71.02 110.515 179.648 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.66 -31.6 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 74.04 110.638 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.12 -31.66 55.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 41.52 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 95' ' ' GLN . 0.5 OUTLIER -68.86 -31.8 71.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 64.32 110.89 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.833 HD12 ' HB3' ' A' ' 80' ' ' CYS . 26.8 mm -59.43 -30.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 72.32 110.695 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -72.49 -55.42 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.14 111.088 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 0.1 OUTLIER -67.31 -28.81 68.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 53.22 111.027 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.411 ' CE2' ' O ' ' A' ' 10' ' ' GLY . 5.3 m-85 -69.84 -48.23 59.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 70.3 110.627 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.46 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -54.53 -31.71 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 73.02 111.006 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.81 -38.72 92.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 55.14 111.069 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.32 -41.87 90.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 73.45 111.016 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.687 HG21 HG21 ' A' ' 109' ' ' VAL . 25.8 mt -58.85 -46.75 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 72.04 110.95 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -55.91 -31.4 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 72.12 111.071 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.31 -58.94 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.765 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.43 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 44.4 t -59.58 -58.64 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 54.14 110.937 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -59.27 -24.81 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.897 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 64.69 42.5 4.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 74.33 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.5 p -161.98 159.24 26.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 70.45 110.753 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -93.0 -24.11 18.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 72.21 111.159 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -108.89 85.66 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 63.14 111.064 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.687 HG21 HG21 ' A' ' 100' ' ' ILE . 14.5 m -108.5 151.2 41.48 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 71.15 110.943 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -68.52 101.12 0.72 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.521 2.147 . . . . 74.45 111.998 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.769 ' HG3' HG21 ' A' ' 139' ' ' ILE . 8.7 ptp -150.15 166.52 29.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 73.52 111.262 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.817 HG23 HD22 ' A' ' 159' ' ' LEU . 49.6 t -141.84 147.43 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.881 -0.599 . . . . 73.14 110.956 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.586 HD11 ' CD1' ' A' ' 82' ' ' PHE . 6.7 tp -106.44 101.51 10.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 71.34 110.927 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.737 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 20.4 t -99.4 143.5 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 70.42 111.113 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -118.46 95.44 0.63 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 65.31 112.477 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -69.06 174.82 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 72.44 110.833 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.516 ' HB3' HD12 ' A' ' 120' ' ' LEU . 3.8 mttt 60.22 61.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 75.41 110.876 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.6 t -97.18 -27.45 14.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 63.41 110.941 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -74.39 -26.06 59.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 50.13 111.171 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 117' ' ' LYS . 10.7 mt -52.01 145.19 10.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.37 -0.377 . . . . 71.15 111.053 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.86 29.32 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 64.24 111.196 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.43 74.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 64.23 111.026 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.679 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.4 OUTLIER -92.84 114.12 26.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.538 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.4 p -86.36 -50.67 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 55.02 110.798 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.69 96.74 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.876 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -55.17 156.11 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 62.31 110.968 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.7 t -54.58 -24.39 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 61.44 111.221 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -59.85 -52.41 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.395 . . . . 73.12 110.948 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -59.61 -40.36 87.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.42 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.09 66.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 51.41 111.183 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.86 -44.35 32.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 71.33 110.969 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -59.09 -33.73 71.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 71.13 110.935 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.5 HD11 ' OH ' ' A' ' 137' ' ' TYR . 20.2 tp -81.21 -51.45 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 71.23 110.796 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.414 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -58.56 -46.45 86.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.422 . . . . 44.22 111.167 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -59.09 -28.43 66.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 74.22 111.001 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.3 m -74.29 -40.74 62.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 42.33 110.766 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.5 ' OH ' HD11 ' A' ' 133' ' ' LEU . 18.9 m-85 -70.29 -21.58 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 71.21 111.073 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.66 17.34 64.03 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.667 -0.778 . . . . 62.44 112.477 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.769 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.1 pt -110.46 156.77 39.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.714 0.292 . . . . 50.52 111.322 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.454 ' HG2' HG13 ' A' ' 112' ' ' VAL . 54.7 Cg_endo -69.88 149.47 66.17 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.592 2.194 . . . . 73.4 112.484 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -120.58 117.68 28.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.644 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 1.002 HD11 HG21 ' A' ' 158' ' ' THR . 3.2 mp -124.2 147.81 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.43 111.089 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -116.82 135.84 53.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 70.33 110.813 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 151' ' ' GLY . 27.3 p -146.23 179.88 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 64.34 111.084 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.2 118.13 8.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.025 -0.534 . . . . 75.14 110.73 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.584 ' HB1' ' CB ' ' A' ' 18' ' ' ALA . . . -65.8 -27.2 68.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 74.3 111.353 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -75.87 -65.86 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.429 -0.35 . . . . 64.42 111.162 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 p -73.84 -20.61 60.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 72.23 111.409 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 63.7 66.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.938 0.399 . . . . 72.22 110.716 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.52 125.02 48.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 75.01 111.031 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.437 ' O ' HG22 ' A' ' 144' ' ' THR . . . 59.07 18.18 40.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.824 -0.703 . . . . 40.31 112.938 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.5 t -54.8 -55.31 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.912 0.386 . . . . 64.44 111.105 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -61.08 -35.62 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 72.45 110.711 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.06 -54.1 17.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 73.22 111.06 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.737 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -63.7 -33.15 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.968 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.03 -55.58 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 73.33 110.835 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -57.15 -29.52 63.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 74.42 111.006 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' THR . . . . . 1.002 HG21 HD11 ' A' ' 142' ' ' ILE . 69.9 m -58.95 -45.97 89.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 63.13 110.856 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 1.067 HD23 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -53.76 -43.33 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 64.15 111.057 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.916 HG11 HG13 ' A' ' 46' ' ' ILE . 11.4 t -56.39 -51.79 59.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 54.24 111.205 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -57.05 -31.72 65.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 62.43 111.124 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.63 -39.87 76.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 70.21 110.828 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 44.5 mt -69.07 -41.28 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 50.32 111.255 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -54.59 23.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.451 . . . . 51.03 111.145 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -67.12 -30.19 70.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 75.25 110.963 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.081 -0.961 . . . . 72.21 110.741 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.475 ' O3G' ' O1B' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.694 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.986 0.422 . . . . 73.31 111.353 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.5 147.64 26.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.793 -0.64 . . . . 54.45 110.784 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.53 124.58 48.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 64.45 110.744 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -115.58 121.28 42.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 74.44 111.024 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -90.06 93.75 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 63.11 110.728 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 159' ' ' LEU . 3.9 mm? -81.55 95.29 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 61.02 111.062 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.445 HG21 ' HA3' ' A' ' 75' ' ' GLY . 33.7 t -82.53 102.17 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 73.43 111.058 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.27 138.66 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 72.25 111.179 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -124.93 169.5 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.023 -0.535 . . . . 60.11 110.901 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.75 156.46 27.99 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.565 -0.826 . . . . 42.12 112.7 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 92' ' ' ASP . . . -95.77 20.37 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.725 0.298 . . . . 72.31 111.222 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.51 39.26 22.47 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.686 -0.769 . . . . 51.14 112.891 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.34 43.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.484 -0.865 . . . . 43.51 113.074 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.482 HG12 ' OG ' ' A' ' 89' ' ' SER . 34.8 m -111.73 -28.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 61.15 111.269 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.69 21.75 10.97 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.777 -0.725 . . . . 74.11 112.741 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -29.81 68.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 73.34 111.098 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 p -77.87 -34.03 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 64.35 111.106 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.666 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -68.29 -28.43 67.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 74.41 111.359 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.561 ' CD2' HG12 ' A' ' 152' ' ' VAL . 54.1 mt -75.09 -40.53 59.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 71.45 110.979 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.842 HG23 HG21 ' A' ' 55' ' ' ILE . 96.2 m -57.77 -57.58 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.874 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.417 HG21 ' CE1' ' A' ' 27' ' ' HIS . 6.1 mt -59.96 -39.4 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.828 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.83 -35.88 75.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.158 -0.474 . . . . 74.2 110.69 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.757 HD13 ' O ' ' A' ' 23' ' ' LEU . 3.4 tm? -71.19 -25.6 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 64.0 110.942 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.562 HG22 ' N ' ' A' ' 25' ' ' GLN . 2.3 mp -106.83 -79.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 70.21 111.02 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.562 ' N ' HG22 ' A' ' 24' ' ' ILE . 35.4 mt-30 -60.94 -34.81 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 64.33 111.344 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 67.91 36.03 3.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.851 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.417 ' CE1' HG21 ' A' ' 21' ' ' ILE . 1.8 p-80 -136.28 145.68 45.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.29 -0.414 . . . . 62.45 110.975 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -80.86 102.96 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.673 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.714 HG21 ' CD2' ' A' ' 32' ' ' TYR . 4.9 p -64.92 144.73 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.377 . . . . 74.12 111.164 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.58 -60.04 2.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 63.13 110.819 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -178.95 134.29 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 75.21 110.642 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.714 ' CD2' HG21 ' A' ' 29' ' ' VAL . 3.5 p90 -147.2 172.68 13.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 64.52 110.86 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.485 ' O ' HD12 ' A' ' 36' ' ' ILE . 73.8 m-20 -71.63 138.06 83.2 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 53.51 110.85 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.87 -45.53 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.461 2.108 . . . . 61.24 112.499 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.63 78.45 9.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 70.34 111.037 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.679 HD13 ' H ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -134.63 -15.49 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 64.22 112.023 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 60.12 40.42 18.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.892 0.377 . . . . 55.53 110.874 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -94.86 48.4 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 55.11 110.799 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.43 163.29 1.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 61.35 110.942 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.428 ' HB2' HD13 ' A' ' 24' ' ' ILE . 4.2 m-85 -129.08 126.2 38.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 73.45 110.874 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -117.16 114.67 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 73.41 110.928 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.454 ' HD2' HD13 ' A' ' 23' ' ' LEU . 28.2 tttt -110.26 146.75 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 73.34 110.949 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -100.77 121.94 42.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.737 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.519 HG21 ' HE1' ' A' ' 157' ' ' TYR . 28.3 m -137.1 -177.19 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 52.43 111.126 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.3 t -121.91 100.91 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 62.53 111.009 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.648 HG13 HG11 ' A' ' 160' ' ' VAL . 9.1 mm -84.63 100.72 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.992 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 63.31 57.55 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 74.35 110.873 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.86 27.28 61.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 75.33 112.582 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -134.16 104.7 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 65.54 110.901 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -58.99 122.32 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 55.01 110.961 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.2 m -148.5 145.46 27.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 53.14 110.883 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.694 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -78.59 150.93 32.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 71.32 110.837 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 53' ' ' LEU . 18.0 mt -127.31 73.64 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.752 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.0 99.43 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 75.34 110.925 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.842 HG21 HG23 ' A' ' 20' ' ' THR . 17.8 mm -79.51 108.31 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.975 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.563 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.2 tm? -89.32 102.45 15.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 62.32 110.925 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -104.56 107.96 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 71.11 110.848 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.545 ' CG2' HD11 ' A' ' 56' ' ' LEU . 17.2 p -89.23 -175.98 4.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 71.05 110.979 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.42 150.23 35.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 72.32 111.033 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.33 -80.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.671 -0.776 . . . . 51.15 112.441 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.88 124.93 10.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 73.03 111.154 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -178.86 40.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.82 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 59.81 80.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.799 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -157.59 83.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 74.44 110.875 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.0 p -102.58 -29.68 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.99 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.06 -42.14 84.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 51.24 111.178 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.409 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 9.5 mmt -78.1 -36.86 47.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.887 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -34.32 70.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.1 110.97 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.14 -34.1 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.522 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 74' ' ' THR . 4.2 tp-100 -64.64 -43.74 92.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 62.02 110.738 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.409 ' CD2' ' O ' ' A' ' 67' ' ' MET . 14.8 m-85 -72.38 -44.2 62.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 71.55 111.027 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.428 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.4 mmt -59.17 -50.0 75.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.031 0.443 . . . . 75.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.449 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 52.2 mtp180 -61.42 -35.05 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.857 -0.61 . . . . 73.54 111.163 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 70' ' ' GLN . 75.7 p -85.92 -16.2 39.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 62.21 111.402 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.445 ' HA3' HG21 ' A' ' 7' ' ' VAL . . . -80.96 137.04 17.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.622 -0.799 . . . . 63.42 112.779 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -89.72 -12.47 39.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.602 0.239 . . . . 63.24 110.93 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.83 178.35 35.06 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.878 -0.677 . . . . 72.2 112.237 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.769 ' O ' HD21 ' A' ' 159' ' ' LEU . 15.9 m-85 -148.67 148.34 29.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.309 . . . . 73.1 111.068 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.63 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -119.38 113.72 21.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.22 110.869 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.497 ' HB3' HG23 ' A' ' 93' ' ' ILE . 86.6 m -90.01 106.76 18.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.312 -0.404 . . . . 72.41 111.041 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.628 ' HA ' HG23 ' A' ' 114' ' ' VAL . 48.0 t -102.02 120.48 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 64.24 111.059 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.436 ' CB ' HG13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -122.52 144.1 49.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 75.34 110.922 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.39 124.56 38.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.406 . . . . 72.24 111.176 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.672 HD12 ' CB ' ' A' ' 123' ' ' ARG . 5.6 pt -64.87 -28.82 45.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 72.23 110.91 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.92 9.72 21.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.863 -0.608 . . . . 71.14 111.357 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -138.26 94.18 2.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.831 0.348 . . . . 74.35 110.898 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -59.27 -24.58 63.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 72.2 111.089 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -44.83 72.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.346 -0.388 . . . . 73.04 110.746 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.482 ' OG ' HG12 ' A' ' 14' ' ' VAL . 5.1 t -56.97 -43.8 81.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.984 0.421 . . . . 61.41 110.693 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.445 ' CE1' HD22 ' A' ' 133' ' ' LEU . 10.2 t80 -59.56 -25.3 64.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 74.34 110.841 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -77.71 -35.23 52.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 64.11 110.991 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.453 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 22.2 m-20 -75.23 -34.06 61.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 73.43 111.072 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.716 HG21 HD21 ' A' ' 113' ' ' LEU . 20.9 mm -59.77 -29.39 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.281 -0.418 . . . . 70.33 110.945 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -73.95 -55.45 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.872 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.66 -28.52 68.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.15 111.212 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.2 m-85 -58.12 -35.19 71.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 73.3 111.011 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -61.03 -39.35 89.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 70.11 110.822 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -57.38 -30.04 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 70.13 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -37.1 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 61.31 110.802 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.703 HG21 HG11 ' A' ' 109' ' ' VAL . 55.4 mt -70.06 -50.6 46.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 62.13 111.138 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -50.73 -40.23 53.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 71.32 110.955 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -62.74 -59.08 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.31 111.14 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 61.2 t -57.64 -63.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 62.44 110.982 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -59.58 -24.07 63.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 63.42 110.727 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.1 t0 60.55 43.25 13.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.693 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 m -148.33 145.87 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 64.13 111.01 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -83.76 -28.34 28.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 74.22 111.039 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -103.54 78.42 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 73.24 111.115 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.703 HG11 HG21 ' A' ' 100' ' ' ILE . 41.4 t -90.75 136.04 28.32 Favored Pre-proline 0 N--CA 1.446 -0.649 0 CA-C-O 121.066 0.46 . . . . 73.22 111.024 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.481 ' HD2' HG13 ' A' ' 109' ' ' VAL . 60.4 Cg_endo -74.66 101.04 1.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 123.071 2.514 . . . . 70.42 112.232 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.27 175.91 10.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 73.21 111.021 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.828 HG23 HD22 ' A' ' 159' ' ' LEU . 24.0 t -141.62 152.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 75.32 111.376 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.77 HD13 ' N ' ' A' ' 114' ' ' VAL . 0.8 OUTLIER -109.06 132.89 53.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 74.44 110.713 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.876 HG11 ' HB1' ' A' ' 155' ' ' ALA . 5.0 m -133.26 157.57 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.41 . . . . 73.41 111.342 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.14 78.28 0.28 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 73.32 112.491 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.45 165.65 0.23 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.791 0.329 . . . . 72.52 111.053 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.694 ' NZ ' H5'1 ' A' ' 219' ' ' GNP . 14.5 mtmm 60.35 59.63 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 55.51 110.872 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.6 t -99.05 7.27 46.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 64.42 111.388 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.439 ' OD1' ' O6 ' ' A' ' 219' ' ' GNP . 8.6 p-10 -108.84 -23.42 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.735 0.302 . . . . 73.51 111.022 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.7 mt -52.1 171.17 0.05 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 73.14 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.49 25.59 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.392 -0.367 . . . . 71.34 111.42 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.86 59.32 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.36 . . . . 64.31 111.154 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.672 ' CB ' HD12 ' A' ' 84' ' ' ILE . 4.3 ptt180 -80.99 154.89 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 74.55 110.944 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.7 p -118.05 -50.38 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 33.52 110.662 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.7 t -87.76 103.87 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 73.33 110.894 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.03 157.45 1.76 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 62.23 111.127 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -49.36 76.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 71.03 111.287 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -34.94 60.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 75.44 111.115 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -65.3 -34.58 78.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 62.4 110.668 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 141' ' ' TYR . . . -78.15 -33.41 50.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.043 -0.526 . . . . 74.25 111.163 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -31.99 72.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 71.13 110.942 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -61.01 -36.85 80.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 75.44 110.865 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.445 HD22 ' CE1' ' A' ' 90' ' ' PHE . 21.5 tp -73.17 -51.48 17.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 63.14 110.882 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.22 99.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 74.31 111.096 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -60.83 -30.62 70.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 74.31 110.863 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.1 t -74.13 -32.4 63.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.661 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.406 ' HB2' HG12 ' A' ' 139' ' ' ILE . 20.5 m-85 -81.17 -15.67 55.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 74.42 111.264 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.37 15.46 64.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.614 -0.803 . . . . 73.44 112.586 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 137' ' ' TYR . 19.2 pt -110.73 155.12 42.79 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.669 0.271 . . . . 60.31 111.312 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.602 ' HG2' HG13 ' A' ' 112' ' ' VAL . 55.2 Cg_endo -70.11 161.19 46.89 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.576 2.184 . . . . 71.33 112.388 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.574 ' CD1' HD12 ' A' ' 113' ' ' LEU . 89.1 t80 -124.04 115.99 22.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.898 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.827 HD11 HG21 ' A' ' 158' ' ' THR . 2.3 mp -114.66 160.33 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 73.23 111.089 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.468 ' N ' HG22 ' A' ' 142' ' ' ILE . 10.5 mt-10 -124.08 119.77 30.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.422 . . . . 64.14 110.917 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 151' ' ' GLY . 70.4 p -134.93 170.81 15.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 75.52 111.127 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.6 p -139.81 115.2 9.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 50.0 110.772 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.666 ' HB1' ' CB ' ' A' ' 18' ' ' ALA . . . -66.51 -23.11 66.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 64.24 111.323 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -83.42 -65.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.452 -0.34 . . . . 62.34 111.136 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 p -71.24 -21.73 62.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 62.24 111.354 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.25 68.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.861 0.363 . . . . 72.54 110.646 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.08 119.4 33.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 60.44 110.981 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.547 ' O ' HG22 ' A' ' 144' ' ' THR . . . 58.26 19.21 38.61 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.826 -0.702 . . . . 55.24 112.91 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 19' ' ' LEU . 22.5 m -55.67 -36.0 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.747 0.308 . . . . 61.03 111.205 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.497 ' HG3' HD23 ' A' ' 23' ' ' LEU . 4.3 mp0 -74.45 -34.26 63.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.89 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -40.23 76.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 71.1 110.792 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.876 ' HB1' HG11 ' A' ' 114' ' ' VAL . . . -69.52 -41.63 75.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 61.31 111.155 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -66.08 -48.32 71.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 75.24 111.145 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.519 ' HE1' HG21 ' A' ' 44' ' ' VAL . 18.8 m-85 -57.58 -37.03 72.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.367 -0.379 . . . . 75.43 111.107 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.827 HG21 HD11 ' A' ' 142' ' ' ILE . 25.6 m -55.75 -34.72 65.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.295 -0.411 . . . . 70.41 111.087 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.828 HD22 HG23 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -62.85 -38.53 91.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 65.0 110.801 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.648 HG11 HG13 ' A' ' 46' ' ' ILE . 5.0 t -63.23 -39.92 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 63.12 111.065 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -68.82 -33.31 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.35 110.951 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.43 -50.79 34.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.03 111.009 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.709 HD11 HD12 ' A' ' 159' ' ' LEU . 71.9 mt -59.64 -42.39 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.367 -0.379 . . . . 74.32 111.204 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -60.92 -33.91 73.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 75.41 110.964 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -72.04 -38.03 69.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.869 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 75.24 110.863 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.723 ' PA ' " H3'" ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 252' ' ' HOH . . . . . 0.491 ' O ' ' O1G' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.62 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.794 0.331 . . . . 74.41 111.265 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.94 149.91 21.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 64.41 110.744 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -103.83 114.89 29.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 63.33 110.81 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -105.67 140.16 39.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 54.12 111.085 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 5.2 mmtt -115.64 92.36 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.785 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.689 HD12 ' CD1' ' A' ' 55' ' ' ILE . 10.4 mt -83.97 124.72 31.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 63.44 111.223 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.25 107.61 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 73.15 110.97 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.2 t -80.93 143.08 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 71.13 111.244 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.499 HG23 ' HA ' ' A' ' 80' ' ' CYS . 29.7 m -146.42 136.9 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.01 111.049 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.23 144.37 8.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 54.41 112.526 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.58 ' HB2' ' OD2' ' A' ' 92' ' ' ASP . . . -66.27 98.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.325 . . . . 61.52 111.051 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.66 -117.95 12.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 44.34 112.474 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O1B' ' A' ' 219' ' ' GNP . . . -64.47 -84.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 34.43 112.396 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.481 HG11 ' OG ' ' A' ' 89' ' ' SER . 12.9 m 40.97 31.49 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.778 0.323 . . . . 45.54 111.765 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.41 34.32 33.9 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.808 -0.71 . . . . 44.34 112.765 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -75.56 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 75.14 110.988 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -30.14 71.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 54.45 110.943 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.593 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -69.24 -43.14 74.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 72.21 111.269 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mt -54.22 -50.54 66.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 74.31 111.203 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.643 HG23 ' CG2' ' A' ' 55' ' ' ILE . 95.7 m -58.94 -54.0 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.027 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.455 HG23 ' HB2' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -59.16 -41.1 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 71.24 111.087 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' CG ' HG11 ' A' ' 152' ' ' VAL . 4.3 tp-100 -56.67 -35.64 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 64.42 110.95 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.688 HD23 HG13 ' A' ' 55' ' ' ILE . 35.1 tp -76.71 -24.87 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 54.12 111.443 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.557 HD13 ' HD2' ' A' ' 42' ' ' LYS . 22.4 mm -109.65 -76.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.622 -0.263 . . . . 74.43 111.528 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.455 ' HB2' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -63.94 -20.4 65.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 65.21 111.026 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 45.39 29.68 0.61 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.318 -0.401 . . . . 44.04 111.623 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -118.91 18.38 13.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 75.5 111.075 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.572 ' O ' HG23 ' A' ' 29' ' ' VAL . 10.5 t80 63.39 -80.32 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.494 . . . . 73.34 111.042 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER 169.24 130.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.801 0.334 . . . . 73.43 110.566 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.8 t70 179.74 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 71.1 110.514 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.92 58.89 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 70.54 110.689 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.03 169.9 15.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 75.31 110.947 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -80.89 151.34 70.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 52.43 111.078 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.431 ' O ' HG23 ' A' ' 36' ' ' ILE . 35.0 Cg_endo -64.92 -165.82 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.651 2.234 . . . . 73.24 112.104 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.55 110.04 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.367 -0.378 . . . . 75.43 110.917 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -142.5 -174.59 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 73.11 111.183 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -101.69 49.39 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 53.35 110.801 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.5 ' HB2' HD11 ' A' ' 36' ' ' ILE . 96.2 m-20 -111.61 52.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 73.14 110.83 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.6 p -54.96 153.37 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 73.45 110.982 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -111.58 174.47 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 73.22 111.004 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -140.25 138.0 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 75.21 110.765 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.557 ' HD2' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -133.83 144.47 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 74.11 111.008 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -108.79 118.95 38.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.821 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.15 -179.43 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.13 111.178 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.08 102.51 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 72.24 111.07 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.673 ' CD1' HG21 ' A' ' 160' ' ' VAL . 21.5 mt -118.27 137.42 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.31 111.079 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.79 33.03 21.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 73.24 110.961 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.7 28.16 65.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.677 -0.773 . . . . 62.53 112.471 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -142.14 112.6 7.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 34.42 110.897 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.4 m -58.67 128.42 37.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 74.21 110.874 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.7 m -148.74 150.1 32.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 64.03 111.036 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.62 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -87.41 142.27 28.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 72.33 110.777 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.6 mt -114.21 101.83 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 74.03 110.988 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -91.07 92.98 8.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 73.34 110.703 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.689 ' CD1' HD12 ' A' ' 6' ' ' LEU . 9.3 mm -83.13 108.96 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 51.41 111.157 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.517 HD21 ' CG2' ' A' ' 58' ' ' THR . 0.2 OUTLIER -97.75 129.28 44.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 53.15 110.389 179.735 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.52 ' HB2' HG21 ' A' ' 20' ' ' THR . 4.1 t70 -115.16 102.64 10.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 62.42 111.01 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.517 ' CG2' HD21 ' A' ' 56' ' ' LEU . 10.8 p -87.25 -175.21 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 64.21 110.748 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.73 159.15 32.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 62.1 111.005 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.08 56.44 5.07 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.74 -0.743 . . . . 73.1 112.529 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 46.26 34.79 2.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.778 0.323 . . . . 55.42 111.268 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.63 -55.74 8.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 64.1 110.951 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -172.0 43.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 72.2 110.953 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -150.06 87.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 71.13 110.831 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.4 t -104.35 -26.04 12.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 71.33 111.098 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.09 -52.39 35.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.38 -0.373 . . . . 62.1 111.157 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.7 mtm -75.01 -25.26 58.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 61.45 110.739 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.5 ttp85 -58.0 -37.76 74.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 64.44 110.687 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.31 -25.73 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 71.24 110.743 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -71.69 -31.42 66.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 74.23 111.007 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -74.04 -31.09 62.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.394 . . . . 72.13 111.04 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.56 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.2 mtt -62.49 -51.75 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 63.51 110.915 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.408 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 70.7 mtp180 -62.93 -20.0 64.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.532 . . . . 74.34 111.117 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.4 p -104.24 1.65 30.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 71.51 111.432 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.429 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -106.34 140.55 15.23 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.666 -0.778 . . . . 72.33 112.732 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 2.5 mt-10 -84.08 -20.97 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 65.35 110.818 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.67 177.2 32.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.823 -0.703 . . . . 62.31 112.26 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -141.65 136.85 31.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.355 . . . . 60.22 110.969 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.588 HD21 HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -113.64 104.74 12.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 63.51 110.908 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.503 ' O ' HD12 ' A' ' 113' ' ' LEU . 15.3 m -89.66 115.33 26.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 71.2 110.718 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.56 ' O ' HD11 ' A' ' 93' ' ' ILE . 3.1 m -100.61 146.12 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 74.53 111.127 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.15 139.5 33.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.506 . . . . 75.43 110.701 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.45 124.43 38.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 75.41 111.233 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.876 HD12 ' HB3' ' A' ' 123' ' ' ARG . 1.9 pt -61.77 -18.45 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.399 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.55 17.58 22.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.479 -0.328 . . . . 72.33 111.141 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.59 87.26 2.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.866 0.365 . . . . 75.52 110.7 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.435 HG23 HG22 ' A' ' 125' ' ' VAL . 1.3 m -55.18 -24.67 28.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 64.21 111.236 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -72.92 -32.49 65.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.394 -0.366 . . . . 70.44 110.735 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.481 ' OG ' HG11 ' A' ' 14' ' ' VAL . 10.9 t -70.42 -38.44 74.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 55.12 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.431 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 8.4 t80 -56.5 -36.83 69.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.764 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.8 -27.16 60.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 62.23 111.006 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.58 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -69.27 -32.11 71.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 75.21 110.952 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.56 HD11 ' O ' ' A' ' 81' ' ' VAL . 31.0 mm -60.16 -30.23 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 72.01 111.137 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -72.82 -55.51 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.843 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -65.77 -28.69 69.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 74.53 111.163 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.1 m-85 -58.03 -36.37 72.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.355 -0.384 . . . . 74.42 111.003 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.435 ' HD2' ' HE3' ' A' ' 111' ' ' MET . 0.0 OUTLIER -68.93 -32.59 72.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 74.02 110.736 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.9 -30.05 69.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.884 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -73.3 -41.63 63.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.426 . . . . 74.12 110.904 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.48 HG21 HG21 ' A' ' 109' ' ' VAL . 15.1 mt -69.09 -46.37 78.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.963 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -57.88 -29.03 64.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.23 111.016 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -58.69 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 54.43 110.797 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 72' ' ' MET . 26.2 t -60.74 -58.1 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 75.11 111.057 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -63.46 -23.41 67.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 53.5 111.181 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 61.36 44.71 9.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.005 0.431 . . . . 51.32 110.828 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t -152.44 136.88 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 74.34 110.815 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -32.2 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 75.35 110.884 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.69 94.86 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.029 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 100' ' ' ILE . 29.1 m -113.19 153.35 45.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 54.15 110.987 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 57.5 Cg_endo -70.94 107.99 2.21 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.636 2.224 . . . . 71.5 112.375 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.822 ' HG3' HG21 ' A' ' 139' ' ' ILE . 12.4 ptp -152.53 173.93 14.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.931 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.674 HG13 ' HG2' ' A' ' 140' ' ' PRO . 17.7 t -145.47 153.59 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 74.02 111.17 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.815 HD23 ' HB2' ' A' ' 134' ' ' ALA . 5.9 tp -114.61 106.31 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 60.32 110.923 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.733 HG22 ' HB1' ' A' ' 155' ' ' ALA . 21.3 t -98.83 150.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.33 111.257 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.36 97.86 0.79 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 34.03 112.355 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.508 HD21 ' HB2' ' A' ' 146' ' ' ALA . 4.1 t-20 -75.51 161.58 29.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 73.33 110.999 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.529 ' HB3' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER 59.25 69.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.949 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.4 t -116.68 24.52 11.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 73.22 111.015 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.559 ' CG ' HG21 ' A' ' 148' ' ' THR . 29.7 t70 -111.12 -55.78 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 74.43 110.835 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.706 ' H ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -54.42 158.16 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 71.42 110.939 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -108.9 43.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 62.4 111.163 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.69 56.36 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 63.54 111.114 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.876 ' HB3' HD12 ' A' ' 84' ' ' ILE . 1.4 ptt-85 -96.32 160.23 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.422 . . . . 72.32 111.056 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.8 p -114.85 -37.08 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 53.13 110.768 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.648 HG13 ' CD ' ' A' ' 129' ' ' GLN . 88.3 t -101.48 141.88 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 53.42 110.781 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -94.62 158.18 15.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 73.51 110.777 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -17.81 64.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 72.21 111.22 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -61.71 -60.64 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.526 -0.306 . . . . 71.45 110.979 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.648 ' CD ' HG13 ' A' ' 125' ' ' VAL . 18.0 pt20 -62.93 -42.92 99.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 61.15 110.962 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.431 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -58.52 -32.6 68.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.025 -0.534 . . . . 65.33 111.175 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -34.93 68.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.915 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.59 -43.87 93.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 62.04 110.867 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.547 HD22 ' O ' ' A' ' 133' ' ' LEU . 1.1 tm? -66.05 -51.53 57.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 72.24 111.044 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.815 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -64.25 -43.76 93.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 70.4 111.125 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -57.89 -41.47 82.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 65.04 110.845 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.2 t -68.14 -29.59 68.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.768 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.415 ' CD2' ' HD3' ' A' ' 97' ' ' ARG . 4.0 m-30 -73.47 -24.01 60.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 75.52 111.103 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.98 14.77 62.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.675 -0.774 . . . . 72.53 112.647 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.822 HG21 ' HG3' ' A' ' 111' ' ' MET . 15.2 pt -113.51 155.26 45.05 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.692 0.282 . . . . 74.11 111.357 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.674 ' HG2' HG13 ' A' ' 112' ' ' VAL . 58.8 Cg_endo -72.05 150.13 53.82 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.544 2.162 . . . . 71.25 112.361 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -122.67 107.54 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.723 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.953 HD11 HG21 ' A' ' 158' ' ' THR . 3.0 mp -109.33 156.86 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 73.21 111.046 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.458 ' N ' HG22 ' A' ' 142' ' ' ILE . 37.5 mt-10 -119.85 130.42 54.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.813 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 151' ' ' GLY . 29.4 p -138.35 173.78 11.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 73.22 111.025 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.4 p -140.51 116.2 10.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 71.4 110.748 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.593 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.03 -23.69 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 61.35 111.29 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -82.72 -56.56 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.406 -0.361 . . . . 61.31 111.154 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.559 HG21 ' CG ' ' A' ' 119' ' ' ASP . 0.7 OUTLIER -81.15 -21.06 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 74.22 111.419 -179.71 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 66.13 69.5 0.44 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.875 0.369 . . . . 75.44 110.83 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.27 119.79 33.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 63.45 110.911 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.524 ' O ' HG22 ' A' ' 144' ' ' THR . . . 54.67 27.88 44.19 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.865 -0.683 . . . . 65.2 112.572 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.421 HG11 ' CG ' ' A' ' 22' ' ' GLN . 25.6 t -57.37 -55.46 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 70.4 111.166 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.437 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 14.0 mt-10 -67.27 -26.66 66.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 73.53 110.966 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -42.7 80.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 70.02 110.954 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.733 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -67.56 -40.79 84.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 63.24 111.015 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -66.02 -50.09 65.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 63.14 110.849 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.2 m-85 -55.45 -32.53 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 72.03 110.984 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.953 HG21 HD11 ' A' ' 142' ' ' ILE . 18.1 m -58.62 -37.89 76.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 70.25 110.919 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.431 ' CD2' HD22 ' A' ' 6' ' ' LEU . 28.5 tp -60.7 -41.59 95.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 64.31 110.881 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.673 HG21 ' CD1' ' A' ' 46' ' ' ILE . 25.5 t -56.88 -41.7 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 42.12 110.986 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -69.2 -33.93 74.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 64.34 110.698 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.19 -49.98 57.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 74.23 110.721 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.66 -49.34 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.141 -0.481 . . . . 54.51 111.165 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -47.87 -47.87 31.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.956 -0.565 . . . . 75.24 111.2 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -75.83 -30.43 58.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.375 . . . . 53.41 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.216 -0.897 . . . . 73.25 110.879 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.724 " H4'" ' O1A' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.609 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.867 0.365 . . . . 63.44 111.3 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.92 149.77 30.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.739 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.55 123.17 47.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.864 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -111.33 160.82 16.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 61.24 111.064 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -127.79 94.95 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.924 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.544 HD12 HD13 ' A' ' 159' ' ' LEU . 3.8 mm? -81.25 109.87 16.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 64.54 110.92 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.402 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 14.0 t -93.74 102.19 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.31 111.262 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.401 HG12 ' HE3' ' A' ' 16' ' ' LYS . 29.3 t -96.8 121.29 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 65.44 111.067 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.7 m -98.17 174.29 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 71.31 111.129 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -106.7 -177.41 23.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.635 -0.793 . . . . 60.13 112.491 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.719 ' HB3' HG11 ' A' ' 14' ' ' VAL . . . -162.62 30.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 74.34 111.063 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.22 -86.61 0.59 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 72.12 112.59 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.46 78.0 0.3 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.681 -0.771 . . . . 52.44 112.629 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.781 ' O ' H5'1 ' A' ' 219' ' ' GNP . 32.6 m -142.96 -178.16 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 71.1 111.314 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -120.55 47.46 1.02 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 64.02 112.578 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HE3' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -67.42 -35.7 79.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.732 0.301 . . . . 70.11 110.754 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -71.1 -43.01 68.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 64.12 110.824 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.544 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -62.51 -43.82 97.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 70.52 111.235 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.831 HD23 HG13 ' A' ' 152' ' ' VAL . 8.5 mt -56.6 -33.57 66.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 73.21 111.041 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.785 HG23 HG21 ' A' ' 55' ' ' ILE . 75.6 m -74.4 -57.33 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 73.2 111.123 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.664 HG21 ' CE1' ' A' ' 27' ' ' HIS . 34.8 mm -53.26 -33.05 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.424 . . . . 65.02 111.349 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.41 -47.98 83.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 71.42 110.723 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.0 tp -76.78 -11.47 59.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 50.15 111.321 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.409 HG22 ' HG3' ' A' ' 25' ' ' GLN . 25.2 mm -99.74 -73.82 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 111.646 0.239 . . . . 72.44 111.646 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.409 ' HG3' HG22 ' A' ' 24' ' ' ILE . 4.4 mt-30 -103.07 9.15 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.891 0.33 . . . . 73.21 111.891 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 26' ' ' ASN . 1.9 p-10 41.79 78.17 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.788 0.328 . . . . 61.21 111.561 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.664 ' CE1' HG21 ' A' ' 21' ' ' ILE . 5.3 p80 -176.6 144.88 0.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 63.14 110.828 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.577 ' HE2' HO2' ' A' ' 219' ' ' GNP . 6.0 t80 -70.87 118.26 13.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.514 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.623 HG22 ' CD1' ' A' ' 32' ' ' TYR . 2.3 p -52.66 150.95 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 74.34 111.345 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -168.83 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.35 110.812 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -102.39 78.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 72.11 110.894 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CD1' HG22 ' A' ' 29' ' ' VAL . 50.7 p90 -134.97 177.4 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.34 110.916 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.58 149.09 37.94 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 73.54 110.88 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.37 114.31 3.6 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.601 2.201 . . . . 74.04 112.316 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.2 t 60.86 105.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 54.24 110.894 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -145.24 178.72 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 73.13 111.167 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -129.17 23.45 5.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.591 . . . . 73.55 111.197 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -81.64 58.54 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.008 0.433 . . . . 72.44 110.471 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 p -54.13 -178.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.03 -0.532 . . . . 51.21 111.241 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -145.87 167.33 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 73.32 110.958 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -144.63 163.4 34.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.701 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -155.39 146.86 22.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.31 -0.404 . . . . 71.13 110.979 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -104.17 116.33 32.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.074 -0.512 . . . . 55.41 110.443 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.421 HG21 HD11 ' A' ' 53' ' ' LEU . 35.7 m -131.46 178.98 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.228 -0.442 . . . . 74.2 111.328 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.62 100.91 8.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 74.34 111.017 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.908 HG13 HG11 ' A' ' 160' ' ' VAL . 11.4 mm -78.16 98.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 71.34 111.017 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 t0 59.76 44.95 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.961 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.43 19.59 71.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.827 -0.701 . . . . 62.32 112.648 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -123.19 97.74 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 73.33 110.842 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.6 m -58.58 120.16 8.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 73.4 110.881 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.8 m -150.95 146.35 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.839 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.609 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -78.55 153.47 31.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 65.45 110.857 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD11 HG21 ' A' ' 44' ' ' VAL . 76.0 mt -133.75 86.85 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.5 110.644 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.16 96.94 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 74.05 111.052 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.785 HG21 HG23 ' A' ' 20' ' ' THR . 19.3 mm -80.59 108.23 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 45.44 110.907 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.537 HD21 ' CG2' ' A' ' 58' ' ' THR . 0.2 OUTLIER -93.16 119.63 32.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.716 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -107.36 100.05 9.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 71.52 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.537 ' CG2' HD21 ' A' ' 56' ' ' LEU . 11.7 p -81.26 -174.44 4.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 65.13 110.86 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.2 151.18 41.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 65.15 111.067 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.3 -53.0 49.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.785 -0.721 . . . . 43.11 112.507 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -103.73 30.23 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.321 . . . . 71.45 110.921 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 65.65 -74.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 72.42 111.083 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 47.49 28.73 1.21 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.813 0.34 . . . . 71.31 111.297 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -174.5 86.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.31 110.945 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -29.38 61.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 75.53 110.855 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.88 -48.45 81.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 75.25 111.161 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 11.7 mmt -70.4 -31.18 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 72.24 110.872 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -37.81 77.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 73.53 110.841 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -72.5 -24.65 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 62.33 110.767 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -78.16 -43.31 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 61.53 110.858 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -78.42 -48.45 15.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 74.34 111.058 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.789 ' HB2' HG11 ' A' ' 103' ' ' VAL . 8.4 mtt -55.07 -52.79 62.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.357 -0.383 . . . . 61.35 110.918 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.628 ' HG3' HG13 ' A' ' 103' ' ' VAL . 65.6 mtp180 -57.99 -22.61 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.35 111.253 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.7 p -102.23 -6.7 22.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.354 -0.384 . . . . 61.51 111.512 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.402 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -88.21 142.73 17.63 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.542 -0.837 . . . . 43.43 112.779 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -99.72 -6.8 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.592 0.234 . . . . 71.55 111.237 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.71 142.53 7.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.793 -0.717 . . . . 73.03 112.435 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -115.52 149.16 38.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 65.45 110.982 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.846 HD12 HD12 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -122.47 117.16 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 64.24 110.886 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.831 ' HB3' HD12 ' A' ' 93' ' ' ILE . 74.1 m -86.98 117.74 25.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 75.43 110.787 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -107.24 114.44 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.2 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.442 ' CE1' ' HA2' ' A' ' 115' ' ' GLY . 0.3 OUTLIER -132.32 141.28 48.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.533 179.546 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.507 ' HB1' ' CD ' ' A' ' 117' ' ' LYS . . . -92.71 125.54 37.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 64.25 111.182 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.899 HD12 ' HB3' ' A' ' 123' ' ' ARG . 8.1 pt -56.53 -31.7 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.12 110.943 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.7 -25.61 59.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 73.01 110.955 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -109.75 106.84 16.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.265 -0.425 . . . . 74.31 110.931 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.444 HG23 ' CG2' ' A' ' 125' ' ' VAL . 7.0 m -69.13 -27.52 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.23 110.936 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -55.0 -35.32 64.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 73.31 111.0 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -64.29 -51.31 64.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 62.54 110.771 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.422 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 31.3 t80 -55.69 -29.76 59.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 74.13 110.868 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -75.25 -36.81 61.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.44 110.934 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.21 -32.62 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.967 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.831 HD12 ' HB3' ' A' ' 80' ' ' CYS . 14.7 mm -61.23 -27.37 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.367 -0.378 . . . . 75.13 110.794 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -74.36 -55.5 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.32 110.728 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -66.79 -29.98 70.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.072 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 10' ' ' GLY . 1.8 m-85 -58.6 -42.69 88.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 73.15 110.891 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.834 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -59.71 -30.44 68.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 54.2 111.012 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -61.79 -27.18 68.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 73.3 111.23 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.14 -39.57 23.07 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.752 0.31 . . . . 65.22 110.833 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' A' ' 97' ' ' ARG . 15.2 mt -57.51 -41.17 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.357 -0.383 . . . . 53.43 111.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HE2' ' NE ' ' A' ' 97' ' ' ARG . 2.1 mptt -56.64 -41.69 77.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.446 -0.343 . . . . 63.03 110.868 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -60.27 -58.77 7.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 61.44 110.91 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 72' ' ' MET . 58.2 t -56.36 -64.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 72.24 111.171 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -58.99 -24.41 62.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 64.41 110.941 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 61.19 44.99 9.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 75.03 110.851 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 t -165.43 143.99 6.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 72.43 110.997 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.91 -52.26 8.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 60.35 110.898 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -80.44 84.74 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 65.44 110.933 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.4 m -116.26 154.05 48.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 43.34 111.127 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.43 107.28 2.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.557 2.171 . . . . 72.53 112.23 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.616 ' SD ' HD13 ' A' ' 100' ' ' ILE . 2.5 mtm -138.64 172.99 12.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 61.41 110.892 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.711 HG13 ' HG2' ' A' ' 140' ' ' PRO . 12.9 t -150.91 155.57 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 53.33 111.079 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.4 ' N ' HG12 ' A' ' 112' ' ' VAL . 3.2 tp -131.91 103.19 6.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 72.35 110.893 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 1.058 HG21 ' HB1' ' A' ' 155' ' ' ALA . 33.7 t -103.26 134.0 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 41.42 111.064 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.442 ' HA2' ' CE1' ' A' ' 82' ' ' PHE . . . -93.72 78.57 1.03 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 40.12 112.475 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.657 HD21 ' HB2' ' A' ' 146' ' ' ALA . 8.8 t30 -59.49 -179.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 74.14 110.849 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.507 ' CD ' ' HB1' ' A' ' 83' ' ' ALA . 5.7 mttt 61.15 57.78 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 72.34 110.906 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.44 -1.45 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 65.25 111.406 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.521 ' CG ' HG23 ' A' ' 148' ' ' THR . 34.7 t0 -77.78 -60.76 2.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.739 0.304 . . . . 74.34 110.679 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.71 ' H ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -51.41 160.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.05 111.2 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -109.52 45.18 1.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 64.32 111.053 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.41 76.65 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 61.15 111.113 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.899 ' HB3' HD12 ' A' ' 84' ' ' ILE . 2.5 ptp180 -91.13 137.17 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 61.53 110.849 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.0 p -105.0 -30.09 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 74.31 110.689 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.444 ' CG2' HG23 ' A' ' 87' ' ' THR . 91.7 t -115.07 100.98 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.008 -0.542 . . . . 74.14 110.926 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.61 155.32 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 74.22 110.919 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.3 p -55.13 -27.48 45.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 53.43 111.098 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -58.95 -48.3 82.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.56 -43.9 95.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.93 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.34 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 62.03 111.183 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.06 -31.28 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 53.32 110.888 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.94 -38.27 81.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 64.22 110.958 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.1 tp -79.82 -51.43 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 72.53 110.941 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.83 86.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 70.22 111.165 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -57.72 -40.74 80.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 72.42 110.819 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.1 t -76.55 -31.16 57.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 63.33 110.606 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.437 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 3.2 m-30 -71.15 -22.33 62.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 74.12 111.108 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.08 18.51 62.83 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.749 -0.739 . . . . 73.41 112.329 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 111' ' ' MET . 5.0 pt -113.52 157.35 41.62 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.693 0.283 . . . . 52.02 111.443 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.711 ' HG2' HG13 ' A' ' 112' ' ' VAL . 58.9 Cg_endo -72.67 156.58 53.33 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.527 2.151 . . . . 63.24 112.375 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -123.07 116.6 23.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 64.21 110.829 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 1.052 HD11 HG21 ' A' ' 158' ' ' THR . 2.7 mp -119.64 154.32 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 61.25 110.999 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.4 ' N ' HG22 ' A' ' 142' ' ' ILE . 2.2 mt-10 -122.57 128.97 51.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 71.4 110.861 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 21.9 p -147.86 177.41 9.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 53.41 111.07 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.73 118.39 11.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 74.11 110.761 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.657 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -63.42 -18.97 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 33.43 111.496 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.422 ' HB2' ' C6 ' ' A' ' 219' ' ' GNP . 0.9 OUTLIER -86.06 -58.87 2.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.718 0.294 . . . . 75.22 111.197 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.521 HG23 ' CG ' ' A' ' 119' ' ' ASP . 24.7 p -90.98 12.62 19.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 74.21 111.621 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 148' ' ' THR . 1.5 ptp85 28.75 64.9 0.11 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.67 0.388 . . . . 73.41 112.0 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -108.1 101.0 10.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 72.52 110.984 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.27 16.29 72.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.713 -0.756 . . . . 75.12 112.868 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.831 HG13 HD23 ' A' ' 19' ' ' LEU . 91.4 t -58.48 -56.01 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 120.845 0.355 . . . . 75.11 111.097 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 22.8 mt-10 -54.33 -27.44 35.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.886 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.02 -49.86 63.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 74.42 110.912 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 1.058 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -55.58 -41.32 73.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.216 -0.447 . . . . 71.13 111.165 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -68.15 -50.87 51.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 73.3 110.872 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 153' ' ' GLU . 17.0 m-85 -56.84 -31.14 64.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 71.32 110.848 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' THR . . . . . 1.052 HG21 HD11 ' A' ' 142' ' ' ILE . 16.4 m -58.27 -39.63 79.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 63.53 110.949 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.846 HD12 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -62.67 -43.04 99.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 75.25 110.765 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.908 HG11 HG13 ' A' ' 46' ' ' ILE . 11.8 t -58.0 -34.81 49.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.272 -0.422 . . . . 71.24 110.982 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -72.07 -37.58 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 75.2 110.733 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.32 -44.17 65.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 71.24 110.847 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.602 HD11 HD22 ' A' ' 159' ' ' LEU . 53.2 mt -59.94 -47.39 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 116.094 -0.503 . . . . 64.05 111.124 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -54.21 -34.65 61.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 72.0 111.116 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -55.28 -33.81 63.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.364 -0.38 . . . . 65.34 111.057 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.168 -0.92 . . . . 70.51 110.919 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.781 H5'1 ' O ' ' A' ' 14' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.763 0.316 . . . . 65.25 111.18 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.537 HG22 ' HB3' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -88.03 149.67 23.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 55.11 110.892 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -107.0 109.25 21.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 72.24 110.857 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.418 ' CE2' HG21 ' A' ' 2' ' ' THR . 26.4 m-85 -99.15 134.95 41.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.942 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -109.05 99.61 8.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 75.25 110.781 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.933 HD12 ' CD1' ' A' ' 55' ' ' ILE . 17.1 mt -97.78 127.16 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.26 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.453 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 87.2 t -109.91 102.12 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.035 -0.53 . . . . 73.04 110.721 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.83 149.63 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 72.25 111.318 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -144.99 177.24 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 50.52 110.985 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.52 -172.72 22.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.578 -0.82 . . . . 62.52 112.536 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.507 ' HB2' ' OD2' ' A' ' 92' ' ' ASP . . . -74.36 157.51 35.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 75.42 111.075 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.49 -24.42 17.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.848 -0.691 . . . . 44.31 112.739 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.48 ' HA2' ' O1A' ' A' ' 219' ' ' GNP . . . -125.17 83.66 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 53.24 112.682 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 16' ' ' LYS . 35.0 m -139.27 15.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.677 0.275 . . . . 61.5 111.593 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.727 ' HA2' " H2'" ' A' ' 219' ' ' GNP . . . 48.95 30.7 9.58 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.912 -0.661 . . . . 71.54 112.889 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HB3' HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -70.42 -44.21 68.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 74.32 110.822 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.485 ' O ' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -68.32 -22.44 64.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 70.34 111.022 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.59 ' HB2' " O2'" ' A' ' 219' ' ' GNP . . . -76.21 -21.67 56.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 65.33 111.501 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.61 ' CD2' HG12 ' A' ' 152' ' ' VAL . 0.7 OUTLIER -78.75 -29.45 45.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.493 -0.321 . . . . 71.1 111.258 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 17' ' ' SER . 0.9 OUTLIER -72.59 -29.07 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.491 -0.322 . . . . 63.1 110.82 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.67 HD13 HG12 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -70.03 -41.04 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.399 -0.364 . . . . 72.14 110.381 179.624 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -58.0 -48.62 79.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 63.2 110.598 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.54 -56.75 15.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 64.24 110.406 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.408 HD13 ' HG2' ' A' ' 42' ' ' LYS . 15.5 mm -53.56 -62.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 74.31 110.87 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.4 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 3.3 pt20 -116.15 -112.34 0.34 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.956 -0.565 . . . . 72.43 110.589 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 3.1 m-20 166.68 44.13 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.936 0.398 . . . . 71.22 110.575 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -119.53 -18.88 8.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 75.5 111.753 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.462 ' CE1' ' HB1' ' A' ' 18' ' ' ALA . 92.9 t80 62.45 100.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 65.22 110.426 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.67 HG12 HD13 ' A' ' 21' ' ' ILE . 4.6 p -79.92 143.42 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 63.03 111.372 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -77.1 -60.3 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 75.42 110.783 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.52 68.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.12 110.809 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -144.27 137.55 27.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 74.11 110.984 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.11 117.13 6.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.818 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.61 74.06 4.44 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.493 2.129 . . . . 45.21 112.279 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.5 m 58.73 29.23 18.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 60.52 110.896 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 pt -104.96 168.28 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.037 0.446 . . . . 73.41 111.161 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -99.59 24.37 8.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.836 -0.62 . . . . 73.01 111.124 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 56.52 24.55 8.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 75.2 111.376 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 t -103.18 143.78 32.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.452 -0.34 . . . . 40.44 110.689 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -143.29 164.63 29.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 73.21 111.114 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -127.19 137.31 52.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 64.31 110.71 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.408 ' HG2' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -126.41 142.02 51.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 61.4 111.0 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -107.82 118.21 36.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 74.14 110.646 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG21 ' HE1' ' A' ' 157' ' ' TYR . 34.4 m -141.82 -178.44 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 73.51 111.278 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.0 t -122.93 100.75 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 75.42 111.033 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.63 HG13 HG11 ' A' ' 160' ' ' VAL . 5.6 mm -83.75 102.78 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 61.11 110.879 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t0 63.16 51.83 2.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 62.32 110.997 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.11 24.6 70.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 52.32 112.634 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -131.98 103.73 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 71.44 110.858 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.2 m -59.25 120.54 9.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 71.21 110.793 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.537 ' HB3' HG22 ' A' ' 2' ' ' THR . 66.8 m -142.36 146.87 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.12 110.942 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.496 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -84.81 143.37 29.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 73.22 110.923 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.1 mt -119.68 97.24 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 63.24 110.943 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.53 95.2 9.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 63.02 110.797 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.933 ' CD1' HD12 ' A' ' 6' ' ' LEU . 8.6 mm -88.86 111.86 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 63.25 111.173 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 56' ' ' LEU . 2.6 tt -105.97 114.95 29.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 61.41 110.74 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -106.41 101.43 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.35 110.771 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.626 ' CG2' HD21 ' A' ' 56' ' ' LEU . 10.3 p -75.51 -173.77 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 63.23 110.877 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.95 126.4 30.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 55.33 111.166 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.59 -28.15 61.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.855 -0.688 . . . . 63.42 112.435 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -94.73 -170.76 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.695 0.283 . . . . 61.43 110.839 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.96 171.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 74.22 110.841 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -118.07 58.49 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.093 0.473 . . . . 74.44 111.041 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -84.7 116.24 23.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.81 -0.632 . . . . 74.34 110.824 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.56 -31.0 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 54.41 111.021 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.57 -51.54 68.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 63.43 111.14 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.96 -33.42 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.838 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -37.99 79.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 74.15 110.699 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.488 ' OD1' HG23 ' A' ' 103' ' ' VAL . 11.7 t70 -70.0 -28.28 65.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 74.51 110.348 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -76.02 -45.33 34.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.978 -0.555 . . . . 61.22 111.104 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -75.54 -48.98 20.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 63.3 111.064 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.538 ' HE1' ' HG3' ' A' ' 99' ' ' GLN . 8.6 mtt -54.39 -53.29 56.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.999 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.4 -21.76 51.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 74.21 111.184 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.8 p -102.76 -3.66 26.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.378 . . . . 62.22 111.585 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.23 129.04 9.54 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.547 -0.835 . . . . 23.22 112.688 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.449 ' CB ' HD13 ' A' ' 163' ' ' ILE . 5.2 mm-40 -67.67 -26.73 66.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.723 0.297 . . . . 71.14 110.847 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.711 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -152.22 -173.96 22.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.821 -0.704 . . . . 65.01 112.341 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.513 ' CE2' HG23 ' A' ' 100' ' ' ILE . 84.0 m-85 -146.44 134.83 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 74.43 111.123 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.04 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -116.95 122.3 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 64.43 110.642 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.84 ' HB3' HD12 ' A' ' 93' ' ' ILE . 61.4 m -97.04 109.04 21.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.984 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.4 t -102.41 110.27 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 72.52 111.006 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.802 ' CD1' HD11 ' A' ' 113' ' ' LEU . 10.8 p90 -123.03 141.3 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 71.24 110.71 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.2 123.63 31.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 61.22 110.927 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.828 HD12 ' HB2' ' A' ' 123' ' ' ARG . 19.5 pt -58.91 -29.49 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 35.51 111.151 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.593 ' ND2' ' HB1' ' A' ' 122' ' ' ALA . 25.7 t-20 -71.35 -29.27 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.524 . . . . 63.43 110.855 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -100.03 117.41 34.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.85 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -71.09 -38.76 72.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 55.24 110.829 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.14 -36.54 77.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 70.35 110.886 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.0 t -59.14 -31.99 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 43.11 110.799 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -74.02 -30.31 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 75.31 110.746 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.88 -29.95 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.977 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.507 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 6.1 m-20 -70.02 -32.46 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 74.44 110.885 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.84 HD12 ' HB3' ' A' ' 80' ' ' CYS . 27.5 mm -61.31 -27.48 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 64.03 110.845 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -75.45 -55.3 5.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 64.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -30.82 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 71.2 111.023 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.4 m-85 -62.21 -47.2 85.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 72.22 110.846 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.404 ' NE ' ' HE2' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -57.86 -43.26 85.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 74.22 111.032 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.16 -28.43 64.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.253 -0.431 . . . . 72.52 111.203 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.538 ' HG3' ' HE1' ' A' ' 72' ' ' MET . 0.3 OUTLIER -76.19 -41.74 48.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.464 -0.335 . . . . 72.51 110.885 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.513 HG23 ' CE2' ' A' ' 78' ' ' PHE . 80.8 mt -56.94 -56.96 11.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 73.23 110.884 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HE2' ' NE ' ' A' ' 97' ' ' ARG . 0.2 OUTLIER -58.87 -26.5 64.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.01 110.78 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -57.14 4.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 75.53 110.99 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.488 HG23 ' OD1' ' A' ' 69' ' ' ASP . 12.3 p -68.93 -36.28 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.42 -0.354 . . . . 75.14 111.135 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.87 -20.69 57.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 70.43 111.09 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.03 35.98 12.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.871 0.367 . . . . 73.3 110.683 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.4 p -138.47 -176.56 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 72.31 110.862 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.68 -71.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 70.54 110.778 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.65 82.38 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 64.42 110.765 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.2 m -98.42 152.9 38.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 52.43 111.315 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.413 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 57.6 Cg_endo -70.69 108.02 2.16 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.695 2.263 . . . . 72.35 112.352 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.696 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.9 ptp -154.29 167.94 28.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 70.34 110.898 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.8 t -143.78 152.04 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.186 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.802 HD11 ' CD1' ' A' ' 82' ' ' PHE . 9.4 tp -115.06 111.51 21.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 63.24 110.746 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.662 HG21 HD21 ' A' ' 79' ' ' LEU . 21.3 t -103.02 150.18 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 72.54 111.199 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.41 78.89 0.24 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 72.22 112.508 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -59.31 159.55 7.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.314 . . . . 72.02 110.469 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.58 48.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 72.15 110.765 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.3 t -110.0 36.19 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 70.55 110.988 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.571 ' HB2' HG21 ' A' ' 148' ' ' THR . 5.8 p-10 -119.94 -46.2 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.42 . . . . 62.05 110.967 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -72.85 161.25 30.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.3 110.861 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -90.91 57.12 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 72.31 111.075 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.593 ' HB1' ' ND2' ' A' ' 85' ' ' ASN . . . -141.84 69.52 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.32 111.055 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.828 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -101.17 110.2 22.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 64.53 110.79 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.3 p -84.31 -49.63 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.12 110.614 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 30.0 t -88.08 107.61 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.03 -0.532 . . . . 74.32 110.817 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -54.58 160.65 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 63.4 111.119 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.9 m -60.69 -41.5 95.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 71.22 111.059 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -54.39 -46.65 73.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 72.12 110.963 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -60.29 -41.18 92.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.916 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.55 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 63.53 111.088 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -36.44 73.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.892 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -57.22 -47.7 80.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.969 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.547 HD13 ' C ' ' A' ' 133' ' ' LEU . 1.0 OUTLIER -66.83 -51.55 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.959 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.532 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -58.15 -43.72 87.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 74.53 111.257 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -61.04 -40.6 94.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 73.22 110.935 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.7 t -66.34 -25.65 66.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 65.02 110.984 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.474 ' CZ ' HD21 ' A' ' 133' ' ' LEU . 6.0 m-30 -84.58 -24.02 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 71.34 111.222 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.79 15.53 63.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.732 . . . . 75.24 112.589 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.696 HG21 ' HG3' ' A' ' 111' ' ' MET . 13.4 pt -110.76 153.45 43.67 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 51.13 111.312 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.59 154.28 68.61 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.561 2.174 . . . . 65.12 112.253 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -124.59 117.77 25.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 74.44 110.761 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.807 HD11 HG21 ' A' ' 158' ' ' THR . 2.5 mp -119.43 147.63 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 70.43 111.102 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -107.69 137.97 44.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 64.41 110.854 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 20.5 p -152.39 179.6 8.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 70.4 111.327 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.07 119.13 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.784 -0.644 . . . . 74.44 110.263 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.903 ' HB3' ' C8 ' ' A' ' 219' ' ' GNP . . . -65.6 -40.82 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 44.25 111.497 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -64.12 -66.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.389 -0.369 . . . . 65.33 111.185 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.571 HG21 ' HB2' ' A' ' 119' ' ' ASP . 26.9 p -70.38 -23.52 62.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.384 . . . . 70.13 111.443 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 66.31 67.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 71.32 110.672 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -116.52 125.1 51.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 64.52 111.096 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 54.33 25.83 34.84 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.89 -0.672 . . . . 73.23 112.727 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.61 HG12 ' CD2' ' A' ' 19' ' ' LEU . 31.4 m -61.75 -38.38 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 74.4 111.194 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.7 mt-10 -73.81 -33.3 64.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.22 110.93 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -46.56 88.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.93 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.63 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -66.49 -41.7 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 61.33 111.187 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 19.5 m-85 -65.18 -49.68 68.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 74.04 111.111 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.1 m-85 -55.09 -34.34 63.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 74.22 111.107 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.807 HG21 HD11 ' A' ' 142' ' ' ILE . 2.3 m -53.6 -39.0 64.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.332 -0.395 . . . . 45.34 111.161 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 1.04 HD23 HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -59.96 -43.06 95.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.13 111.024 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.63 HG11 HG13 ' A' ' 46' ' ' ILE . 3.8 t -62.0 -45.19 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 75.33 111.017 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -62.31 -43.99 97.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 55.02 111.023 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -58.44 -41.69 85.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 72.21 110.907 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.449 HD13 ' CB ' ' A' ' 76' ' ' GLU . 92.2 mt -69.58 -47.23 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 65.32 111.112 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -49.56 74.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 62.05 111.018 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -20.63 61.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 70.52 111.186 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.194 -0.908 . . . . 74.23 110.82 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.903 ' C8 ' ' HB3' ' A' ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.468 ' CG ' HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.949 0.404 . . . . 74.04 111.288 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.41 145.02 19.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.928 -0.578 . . . . 74.33 110.859 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -109.47 126.6 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 73.13 110.78 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.591 ' HB2' HD23 ' A' ' 53' ' ' LEU . 13.0 m-85 -101.72 109.46 21.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 74.21 111.09 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -82.99 95.77 8.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.786 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.657 HD22 ' HG ' ' A' ' 159' ' ' LEU . 41.5 mt -97.34 111.0 23.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 63.44 111.067 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.512 HG23 ' HA3' ' A' ' 75' ' ' GLY . 60.7 t -85.48 105.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 63.54 111.07 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.9 t -88.43 138.97 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 64.42 111.0 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.517 ' O ' HG12 ' A' ' 81' ' ' VAL . 23.6 m -141.17 149.54 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 74.42 111.062 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.58 -161.36 12.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.637 -0.792 . . . . 52.31 112.558 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.616 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . -98.87 29.44 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 64.51 111.12 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.8 -64.19 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 64.45 112.496 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.42 ' HA2' ' O2A' ' A' ' 219' ' ' GNP . . . -92.81 44.65 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.717 . . . . 73.22 112.534 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.616 HG13 ' HB3' ' A' ' 11' ' ' ALA . 12.2 m -112.34 -30.2 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.695 0.283 . . . . 54.45 111.289 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.418 ' HA2' ' O1A' ' A' ' 219' ' ' GNP . . . 111.98 28.75 3.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 71.33 112.452 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -60.33 -49.53 77.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.675 0.274 . . . . 72.44 111.058 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -71.52 -29.52 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 23.11 110.82 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.692 ' HB1' ' HE1' ' A' ' 28' ' ' PHE . . . -60.7 -50.03 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 64.55 111.096 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.4 mt -57.45 -31.94 66.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 64.34 110.937 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.41 HG23 HG21 ' A' ' 55' ' ' ILE . 24.6 m -63.57 -58.29 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 61.53 110.995 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 mm -54.76 -29.67 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 73.31 111.171 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.474 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 3.1 mm-40 -65.6 -49.88 67.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 53.12 110.69 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.44 -6.59 52.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 74.43 111.36 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 42' ' ' LYS . 24.7 mm -101.99 -74.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.836 0.351 . . . . 73.32 111.054 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -92.78 -22.51 19.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 73.15 111.26 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 22' ' ' GLN . 0.6 OUTLIER 64.91 26.78 12.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.407 -0.36 . . . . 72.44 110.944 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -110.73 -13.66 14.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 70.34 110.984 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.692 ' HE1' ' HB1' ' A' ' 18' ' ' ALA . 7.3 t80 69.1 139.84 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.441 -0.345 . . . . 75.41 110.708 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.756 HG21 ' O ' ' A' ' 252' ' ' HOH . 17.0 t -51.75 147.3 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 71.22 111.09 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -175.22 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.061 -0.518 . . . . 71.22 111.076 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -152.51 27.69 0.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.5 -0.318 . . . . 74.2 111.172 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.541 ' CD1' HG13 ' A' ' 29' ' ' VAL . 19.8 p90 -62.04 168.46 3.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 63.34 110.842 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.05 126.14 80.22 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.052 -0.522 . . . . 75.14 110.706 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -73.84 -30.54 9.21 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.451 2.101 . . . . 71.14 112.203 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 88.1 p -62.99 -173.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.769 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 35' ' ' SER . 9.3 pt 47.06 -168.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 61.44 111.529 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.53 -177.07 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.0 110.679 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -113.35 26.52 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 71.14 111.058 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 t -92.81 141.65 28.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 72.44 111.018 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -138.01 166.18 24.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.839 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -125.81 133.79 51.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 73.54 110.873 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.45 ' HB2' HD13 ' A' ' 24' ' ' ILE . 6.7 tptp -134.46 132.25 39.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 61.42 110.966 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -94.59 121.5 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 60.4 110.84 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 m -143.94 -176.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.309 -0.405 . . . . 65.33 111.303 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 45' ' ' VAL . 10.8 p -124.23 121.73 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.33 111.083 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.464 HG13 HG21 ' A' ' 160' ' ' VAL . 11.0 mm -103.21 106.54 20.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 74.25 111.173 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t70 59.56 37.87 22.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 75.13 110.817 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.79 20.68 63.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.892 -0.671 . . . . 62.21 112.548 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -126.0 101.17 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 74.04 110.783 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -60.73 126.08 26.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 71.01 111.046 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 m -157.77 150.86 23.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 74.21 110.776 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 1' ' ' MET . 1.4 tp -78.58 152.14 32.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 75.43 110.769 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.591 HD23 ' HB2' ' A' ' 4' ' ' TYR . 30.6 mt -124.85 88.15 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 65.21 110.927 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.68 98.0 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 53.52 110.82 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.504 ' CD1' HD12 ' A' ' 6' ' ' LEU . 24.3 mm -88.9 108.38 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 70.51 111.071 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.619 HD21 HG22 ' A' ' 58' ' ' THR . 2.6 tt -100.77 125.06 47.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 55.41 110.788 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -115.36 103.55 10.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 73.43 110.72 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.619 HG22 HD21 ' A' ' 56' ' ' LEU . 6.1 p -75.49 169.61 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 72.11 110.821 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.63 156.17 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 52.32 111.159 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.09 -30.4 2.96 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 64.32 112.397 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -115.05 14.23 17.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.723 0.297 . . . . 54.05 111.191 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -108.81 -22.42 12.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.459 -0.337 . . . . 72.14 111.113 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 68.44 -81.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.249 -0.432 . . . . 75.13 110.755 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 49.52 84.11 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.428 -0.351 . . . . 73.54 111.151 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.8 p -74.46 -32.29 62.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 71.45 110.911 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.57 -48.3 82.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 45.34 111.125 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.08 -30.57 49.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 74.34 111.011 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -59.13 -37.25 76.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 63.35 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -71.54 -29.24 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.738 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -67.06 -41.18 86.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 74.24 110.767 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -69.88 -34.08 73.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 73.2 111.2 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.63 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.8 mtt -62.72 -48.55 78.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 73.2 111.054 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 68.7 mtp180 -70.13 -19.42 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.44 111.372 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 p -102.62 -5.81 23.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.579 -0.282 . . . . 74.5 111.29 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.512 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -100.35 117.95 6.03 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.625 -0.798 . . . . 61.04 112.64 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.36 -27.48 69.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.718 0.294 . . . . 55.4 110.886 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.614 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -147.92 169.78 28.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 73.1 112.36 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.582 ' CE1' HG23 ' A' ' 100' ' ' ILE . 74.7 m-85 -131.44 145.27 51.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 74.44 110.923 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -118.35 121.33 40.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 73.21 110.902 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.487 ' O ' HD12 ' A' ' 113' ' ' LEU . 42.6 m -96.54 100.01 11.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 53.5 110.827 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 9' ' ' VAL . 6.3 p -106.9 135.78 44.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 71.2 111.124 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -149.55 167.52 26.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 74.24 110.887 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.432 ' HB1' ' CD ' ' A' ' 117' ' ' LYS . . . -107.26 124.35 49.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 73.45 111.104 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.792 HD12 ' HB2' ' A' ' 123' ' ' ARG . 16.1 pt -61.91 -31.61 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 71.22 110.945 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -66.04 -29.33 69.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 74.14 110.941 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -108.04 107.44 18.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 72.34 110.887 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.8 m -63.04 -24.32 67.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 73.33 111.021 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -40.61 96.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.428 -0.351 . . . . 73.23 110.733 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.514 ' HA ' ' HB2' ' A' ' 11' ' ' ALA . 95.6 p -59.62 -49.87 76.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 61.2 110.697 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -58.15 -30.55 66.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 73.4 110.586 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.95 -29.28 39.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 72.24 110.875 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.45 ' HA ' ' NE2' ' A' ' 95' ' ' GLN . 91.6 m-20 -76.31 -45.72 31.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 74.24 110.976 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.454 ' HA ' HD13 ' A' ' 93' ' ' ILE . 2.5 mm -53.08 -27.06 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 120.957 0.408 . . . . 72.43 110.623 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -52.88 55.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 75.44 110.709 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.533 ' HG2' ' N ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -68.65 -29.91 68.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 74.52 110.818 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.533 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 12.0 m-85 -63.48 -42.14 98.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 72.14 110.715 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.447 ' HG2' ' HE1' ' A' ' 111' ' ' MET . 0.2 OUTLIER -63.73 -31.49 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.688 179.679 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.28 -37.98 89.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.047 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -39.15 82.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 74.31 110.92 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.582 HG23 ' CE1' ' A' ' 78' ' ' PHE . 72.3 mt -60.35 -42.4 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 62.45 111.091 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -35.96 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 75.32 111.085 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -58.98 3.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 73.24 111.116 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.63 HG11 ' HB2' ' A' ' 72' ' ' MET . 57.8 t -59.1 -59.98 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 74.44 111.116 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -60.42 -25.12 65.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.862 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.1 t0 62.03 41.49 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 73.21 110.737 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -158.49 128.31 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 72.04 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.58 -24.79 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 40.1 111.137 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -110.61 95.67 5.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 75.14 111.176 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.532 HG21 ' CG2' ' A' ' 100' ' ' ILE . 29.8 m -121.85 153.44 60.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 72.41 110.869 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.63 102.5 1.17 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.533 2.156 . . . . 70.43 112.36 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.792 ' HG3' HG21 ' A' ' 139' ' ' ILE . 10.5 ptp -148.2 174.04 12.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 63.44 110.815 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.584 HG13 ' HG2' ' A' ' 140' ' ' PRO . 14.8 t -146.88 156.07 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 61.22 111.262 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 80' ' ' CYS . 3.4 tp -117.61 109.03 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 64.04 110.881 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.656 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 32.9 t -103.9 144.6 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 70.14 111.142 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.17 83.11 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 72.3 112.505 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -60.02 170.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 72.52 110.918 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.432 ' CD ' ' HB1' ' A' ' 83' ' ' ALA . 9.1 mttt 59.65 63.37 1.52 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 52.44 110.882 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 16.4 t -104.5 -35.97 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 72.55 110.992 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.521 ' CG ' HG21 ' A' ' 148' ' ' THR . 28.4 t70 -68.98 -23.61 64.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 74.34 111.153 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.522 HD21 ' N2 ' ' A' ' 219' ' ' GNP . 40.8 mt -53.65 -179.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.503 -0.317 . . . . 73.0 111.025 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -131.11 28.36 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.376 . . . . 44.12 111.323 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.26 66.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.339 -0.391 . . . . 74.31 111.148 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.792 ' HB2' HD12 ' A' ' 84' ' ' ILE . 10.4 ptt180 -92.16 134.05 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.34 111.052 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.6 p -103.53 -32.64 9.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 71.05 110.639 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.9 t -101.19 95.88 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.928 -0.578 . . . . 75.1 110.781 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.58 158.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 64.44 111.169 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.3 t -54.8 -48.72 72.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 65.14 111.466 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -34.61 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 73.33 111.157 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -67.14 -32.15 73.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 62.11 110.801 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.06 -30.03 39.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 75.05 111.2 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.98 -30.78 62.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 63.44 110.983 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.14 -43.55 92.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 70.13 111.017 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.64 -48.39 48.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 64.11 110.809 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.469 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -61.28 -45.6 93.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 45.04 111.073 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -55.68 -42.45 75.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.91 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.8 t -72.17 -31.21 65.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 54.13 110.623 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -73.04 -23.7 60.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 72.11 111.021 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.99 16.13 63.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.67 -0.776 . . . . 75.22 112.614 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.792 HG21 ' HG3' ' A' ' 111' ' ' MET . 3.2 pt -119.56 157.32 52.14 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 120.723 0.297 . . . . 73.15 111.341 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.584 ' HG2' HG13 ' A' ' 112' ' ' VAL . 50.3 Cg_endo -69.3 167.3 24.25 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.499 2.132 . . . . 74.33 112.2 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -134.28 117.05 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.573 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.619 HD13 ' HA ' ' A' ' 155' ' ' ALA . 1.8 mp -117.4 137.81 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 71.52 111.329 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -103.98 131.87 50.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 71.11 110.511 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 22.0 p -148.31 173.44 13.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.947 0.403 . . . . 72.35 111.436 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.83 135.32 34.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.878 -0.601 . . . . 44.13 110.791 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.644 ' HB1' ' HE1' ' A' ' 28' ' ' PHE . . . -79.05 -11.28 59.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 73.02 111.825 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -93.89 -48.54 6.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.358 . . . . 71.34 111.047 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.521 HG21 ' CG ' ' A' ' 119' ' ' ASP . 20.5 p -95.11 0.83 54.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 63.45 111.616 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.469 ' HA ' HG21 ' A' ' 152' ' ' VAL . 10.3 ptm180 42.71 54.38 4.6 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.896 0.379 . . . . 65.31 111.523 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.94 121.15 41.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 73.53 111.19 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 63.42 13.97 52.29 Favored Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.843 -0.694 . . . . 53.04 113.173 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.469 HG21 ' HA ' ' A' ' 149' ' ' ARG . 85.1 t -57.53 -54.83 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 116.963 0.382 . . . . 75.13 110.906 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.416 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 1.7 mt-10 -61.16 -33.03 72.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 71.05 110.492 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -30.1 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 70.2 110.831 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.656 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -72.32 -50.42 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 63.35 111.201 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -63.63 -47.52 81.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 73.35 111.152 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.445 ' HA ' ' CG1' ' A' ' 160' ' ' VAL . 14.0 m-85 -52.16 -27.25 13.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.575 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.609 HG21 HD11 ' A' ' 142' ' ' ILE . 18.5 m -68.34 -37.85 80.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.351 . . . . 71.21 111.155 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.657 ' HG ' HD22 ' A' ' 6' ' ' LEU . 17.2 tp -68.14 -51.6 44.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 74.03 110.708 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.501 HG23 ' CE2' ' A' ' 4' ' ' TYR . 2.2 p -64.64 -34.47 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.177 -0.465 . . . . 65.24 111.079 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -69.41 -34.06 73.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.902 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.6 -35.95 60.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 72.41 111.047 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 160' ' ' VAL . 36.2 mt -64.7 -33.13 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 73.11 111.282 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -53.18 -46.77 69.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 75.53 111.046 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -65.11 -35.63 81.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 74.01 110.9 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.322 -0.847 . . . . 73.03 110.974 179.944 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.592 H5'1 ' H8 ' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 252' ' ' HOH . . . . . 0.756 ' O ' HG21 ' A' ' 29' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.485 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.806 0.336 . . . . 74.12 111.185 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.42 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -95.89 149.77 21.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 64.12 110.758 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -101.87 128.25 48.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 73.31 110.747 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.42 ' CE2' ' CG2' ' A' ' 2' ' ' THR . 36.0 m-85 -119.51 104.73 10.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 64.43 111.032 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 95.86 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.55 110.618 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.774 HD12 ' CD1' ' A' ' 55' ' ' ILE . 26.5 mt -93.67 113.48 25.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 64.3 111.155 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.515 HG23 ' HA3' ' A' ' 75' ' ' GLY . 65.3 t -94.75 116.95 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.42 111.008 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.1 t -91.18 139.7 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.53 111.08 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.679 HG12 HH22 ' A' ' 68' ' ' ARG . 18.5 m -142.46 160.97 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 62.44 111.052 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.82 -100.07 0.13 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.704 -0.76 . . . . 52.44 112.589 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.11 91.92 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 73.2 111.052 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.14 -80.13 0.2 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 53.2 112.338 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.473 ' HA3' ' O1A' ' A' ' 219' ' ' GNP . . . -114.97 -78.98 0.81 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.833 -0.699 . . . . 50.11 112.484 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.849 HG11 ' OG ' ' A' ' 89' ' ' SER . 15.7 m 40.79 31.59 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 112.003 0.372 . . . . 70.05 112.003 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.2 32.92 29.76 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.872 -0.68 . . . . 74.12 112.706 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -68.31 -38.76 81.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 75.21 111.024 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.0 p -81.12 -36.27 30.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 34.1 111.044 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -52.94 -50.43 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 71.25 111.351 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.607 HD12 HG11 ' A' ' 81' ' ' VAL . 94.3 mt -56.82 -30.98 64.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.351 -0.386 . . . . 74.42 110.978 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.4 m -72.06 -43.03 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 62.24 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.6 mm -67.67 -42.69 86.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 73.15 111.138 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.408 ' HB3' HG11 ' A' ' 152' ' ' VAL . 1.3 tp-100 -59.02 -41.31 87.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 52.15 110.843 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.513 HD22 ' CD2' ' A' ' 156' ' ' PHE . 37.8 tp -76.77 -10.33 59.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 75.34 111.334 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 mm -111.64 -74.08 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.694 0.283 . . . . 64.45 111.508 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -82.36 -19.74 38.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.405 -0.361 . . . . 75.33 111.603 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.6 m120 68.7 46.35 0.95 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.871 0.367 . . . . 72.35 110.913 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -168.1 137.81 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 54.43 110.82 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -62.62 115.96 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 72.01 110.838 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.415 HG22 ' H ' ' A' ' 32' ' ' TYR . 11.9 p -70.93 -32.93 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 52.11 111.19 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.1 t0 71.61 -64.66 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.956 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' HB3' ' O3G' ' A' ' 219' ' ' GNP . 1.8 pt-20 -175.18 69.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 71.21 110.781 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.415 ' H ' HG22 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -146.29 119.37 8.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 74.2 110.904 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.9 115.08 6.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 62.13 110.715 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.64 72.47 6.5 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.557 2.172 . . . . 74.04 112.534 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.8 m 55.44 36.93 28.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 52.24 110.974 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 pt -111.27 167.82 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 44.32 111.228 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -102.75 28.87 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.944 -0.571 . . . . 75.34 110.998 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 59.3 22.75 11.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 74.31 111.202 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 t -105.41 140.99 37.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.329 -0.396 . . . . 43.55 110.983 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -145.95 171.83 14.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.93 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -134.39 159.68 40.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 61.43 110.846 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -155.88 147.04 22.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.14 110.937 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -111.28 120.14 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 70.34 110.826 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 m -139.41 -178.88 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.35 111.075 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -124.29 100.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 64.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.643 ' CD1' HG21 ' A' ' 160' ' ' VAL . 18.6 mt -115.37 128.17 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 72.31 110.941 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 68.31 31.89 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.915 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.21 31.22 78.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 40.34 112.631 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.52 112.42 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 73.11 110.835 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -62.3 125.09 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 44.22 110.801 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.5 m -146.63 151.17 36.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 72.04 110.892 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.485 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -85.14 145.17 27.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 64.55 110.825 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.6 95.66 5.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 62.11 110.942 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.98 94.96 10.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.885 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.774 ' CD1' HD12 ' A' ' 6' ' ' LEU . 22.0 mm -91.35 108.39 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 73.21 111.101 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.518 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -105.17 119.61 39.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 52.21 110.717 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.45 105.0 16.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 65.23 110.848 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.518 HG22 HD21 ' A' ' 56' ' ' LEU . 7.9 p -79.03 -173.91 3.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 73.51 110.839 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.11 162.76 13.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.099 0.476 . . . . 54.32 111.376 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.01 -82.31 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.658 -0.701 . . . . 50.22 112.497 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -129.86 -76.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.758 0.313 . . . . 62.4 110.696 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 53.05 28.03 6.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 65.23 111.161 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.16 30.5 20.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 74.02 110.966 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -109.78 110.82 21.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.987 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 p -122.74 -39.41 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 71.32 110.982 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.07 -57.84 8.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.369 -0.378 . . . . 61.23 111.276 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -58.73 -27.49 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 72.55 110.965 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.679 HH22 HG12 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -61.62 -34.54 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.998 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -73.0 -30.24 63.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 62.0 110.763 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.621 ' O ' HG23 ' A' ' 74' ' ' THR . 0.0 OUTLIER -72.55 -54.94 7.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 70.11 110.897 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -63.7 -37.68 88.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 74.44 111.034 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.557 ' HB3' HG11 ' A' ' 103' ' ' VAL . 11.4 mtt -69.09 -38.82 79.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.14 110.982 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.495 ' HG3' HG13 ' A' ' 103' ' ' VAL . 60.8 mtp180 -72.67 -13.7 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.43 111.325 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 70' ' ' GLN . 73.9 p -101.84 -15.99 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.544 -0.298 . . . . 63.32 111.375 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.515 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -84.11 124.83 6.82 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.631 -0.795 . . . . 61.11 112.741 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.51 -19.21 59.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.687 0.279 . . . . 65.35 110.958 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.456 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -147.63 150.41 22.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.858 -0.687 . . . . 64.42 112.269 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.517 ' CE2' HG23 ' A' ' 100' ' ' ILE . 29.1 m-85 -118.91 135.16 54.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 64.24 111.095 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.91 120.23 37.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.857 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.656 ' HB3' HD12 ' A' ' 93' ' ' ILE . 3.9 m -96.84 103.76 15.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.93 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.607 HG11 HD12 ' A' ' 19' ' ' LEU . 46.8 t -101.94 108.29 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 71.14 111.189 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.22 153.42 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.714 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' HB2' ' HE3' ' A' ' 117' ' ' LYS . . . -95.41 123.67 39.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.235 -0.439 . . . . 63.02 110.996 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.681 HD12 ' HB3' ' A' ' 123' ' ' ARG . 2.4 pt -60.59 -21.61 23.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 71.4 111.261 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -85.44 -24.76 27.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 71.25 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.82 99.02 8.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 71.11 110.902 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.46 HG23 HG22 ' A' ' 125' ' ' VAL . 7.9 m -62.96 -26.76 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 70.12 110.92 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -54.45 -43.55 71.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 72.35 111.012 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.849 ' OG ' HG11 ' A' ' 14' ' ' VAL . 3.7 t -55.38 -46.6 76.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 75.31 111.001 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.15 -27.03 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 72.24 111.143 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.66 -40.91 63.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 72.43 110.931 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.22 -33.59 59.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 61.43 111.023 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' A' ' 80' ' ' CYS . 25.8 mm -50.57 -40.43 19.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.394 -0.366 . . . . 55.43 110.811 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -76.62 -40.52 49.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 64.33 110.363 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -51.2 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 73.41 110.893 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -59.58 -32.28 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 54.35 111.004 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -44.85 93.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 73.33 110.967 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.0 -35.19 68.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 65.34 111.008 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.746 ' O ' HG23 ' A' ' 103' ' ' VAL . 37.8 mt-30 -71.94 -36.53 69.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 63.41 110.767 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.64 ' CG2' HG21 ' A' ' 109' ' ' VAL . 88.0 mt -58.88 -46.06 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 73.54 111.14 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -44.56 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 65.5 110.94 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -68.38 -40.46 81.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 63.23 111.428 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 99' ' ' GLN . 59.5 t -50.9 -49.88 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 43.12 111.418 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HG3' ' CG1' ' A' ' 109' ' ' VAL . 0.0 OUTLIER -105.89 7.2 32.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.443 -0.344 . . . . 61.41 111.416 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t70 46.94 63.87 1.77 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.818 0.342 . . . . 73.23 111.281 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.75 146.09 0.43 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 34.43 110.842 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -77.53 -51.64 10.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 62.43 110.916 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -77.63 79.63 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.41 111.02 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.64 HG21 ' CG2' ' A' ' 100' ' ' ILE . 9.1 m -107.54 149.76 39.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 74.34 111.029 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.406 ' HB2' HG12 ' A' ' 163' ' ' ILE . 47.3 Cg_endo -68.59 108.97 1.96 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.563 2.176 . . . . 73.21 112.14 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.535 ' HG3' HG21 ' A' ' 139' ' ' ILE . 9.8 ptp -156.71 173.56 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 72.22 110.994 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.586 HG13 ' HG2' ' A' ' 140' ' ' PRO . 9.6 t -147.82 156.91 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 73.33 111.055 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 134' ' ' ALA . 6.9 tp -121.4 102.92 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 54.24 110.798 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.766 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 18.1 t -96.99 152.73 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 51.55 111.125 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.79 90.62 0.47 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.729 . . . . 63.22 112.425 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -68.91 173.58 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 73.31 110.837 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' ' 83' ' ' ALA . 19.4 mttt 62.35 69.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.915 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.6 t -109.14 -25.11 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 52.55 111.14 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -53.72 -66.94 0.3 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.41 -0.359 . . . . 75.24 110.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.708 ' H ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -50.0 173.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 73.55 111.272 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.27 40.86 3.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 65.12 111.184 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -121.77 61.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 72.42 111.057 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.681 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -83.22 98.64 9.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.108 -0.496 . . . . 72.01 111.164 -179.786 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.5 p -69.71 -28.12 65.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.661 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.46 HG22 HG23 ' A' ' 87' ' ' THR . 94.6 t -105.56 110.89 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 116.151 -0.477 . . . . 73.25 110.832 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.91 160.69 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 63.43 110.977 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.2 p -66.44 -33.19 75.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.754 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -57.92 -45.4 86.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.13 110.766 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -65.68 -42.35 91.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 64.33 110.809 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.05 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 51.23 110.994 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.86 -36.29 81.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 73.23 110.871 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.68 -36.8 77.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.42 110.782 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.403 HD11 ' OH ' ' A' ' 137' ' ' TYR . 24.2 tp -76.3 -51.19 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 74.42 110.771 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.518 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -61.43 -42.99 99.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 60.45 111.076 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -62.28 -27.67 69.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 74.52 111.188 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -30.53 60.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 73.15 110.783 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.535 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.0 m-85 -85.41 -10.03 56.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 73.31 111.326 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.63 24.19 76.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.635 -0.793 . . . . 60.35 112.362 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.535 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.3 pt -113.9 157.3 42.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 54.01 111.524 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.586 ' HG2' HG13 ' A' ' 112' ' ' VAL . 61.2 Cg_endo -73.13 147.59 42.99 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.593 2.195 . . . . 73.01 112.138 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -116.88 102.4 9.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 63.5 110.734 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 1.046 HD11 HG21 ' A' ' 158' ' ' THR . 3.0 mp -104.46 150.31 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 73.41 111.192 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -119.52 129.85 54.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 74.21 110.869 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 151' ' ' GLY . 22.2 p -134.89 -177.93 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 70.54 111.118 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.1 p -152.33 118.27 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 70.42 110.649 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -74.73 -24.61 58.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.37 -0.377 . . . . 63.24 111.35 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -76.08 -52.48 10.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.383 -0.372 . . . . 70.31 110.986 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p -90.64 -16.11 29.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.4 . . . . 51.14 111.488 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.498 ' HG2' HG21 ' A' ' 152' ' ' VAL . 3.2 tmt_? 64.35 70.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 61.41 110.622 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.05 124.49 44.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 74.5 111.061 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.532 ' O ' HG22 ' A' ' 144' ' ' THR . . . 51.93 26.04 17.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.985 -0.626 . . . . 72.31 112.897 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.498 HG21 ' HG2' ' A' ' 149' ' ' ARG . 22.4 t -58.61 -54.85 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 60.04 111.25 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.416 ' HG2' HD13 ' A' ' 23' ' ' LEU . 25.5 mt-10 -65.16 -27.65 68.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 64.34 111.101 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -57.69 -57.4 12.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.358 -0.383 . . . . 70.02 111.067 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.766 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -51.67 -38.88 56.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 73.44 111.364 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.513 ' CD2' HD22 ' A' ' 23' ' ' LEU . 43.8 m-85 -70.43 -49.49 48.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 65.22 110.873 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.5 m-85 -57.5 -30.25 64.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 75.51 110.878 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' THR . . . . . 1.046 HG21 HD11 ' A' ' 142' ' ' ILE . 35.7 m -60.38 -37.45 80.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.852 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.559 ' CD2' HD22 ' A' ' 6' ' ' LEU . 46.0 tp -63.07 -43.67 97.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 34.41 110.824 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.643 HG21 ' CD1' ' A' ' 46' ' ' ILE . 23.3 t -53.77 -40.04 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.136 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -31.23 68.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 75.2 110.775 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.68 -48.17 34.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 74.33 110.776 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.456 HD11 ' HA3' ' A' ' 77' ' ' GLY . 67.5 mt -60.85 -55.61 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.285 -0.416 . . . . 74.44 111.271 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -40.18 74.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 74.32 110.869 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.62 -21.43 66.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 74.5 111.036 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.229 -0.891 . . . . 63.34 110.831 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.473 ' O1A' ' HA3' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.68 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 121.032 0.444 . . . . 74.43 111.308 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.97 149.73 31.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.717 -0.674 . . . . 64.14 110.81 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -110.1 122.27 47.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 54.44 110.727 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -107.66 128.08 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 70.33 110.937 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.38 92.04 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 60.43 110.905 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.401 HD22 HD13 ' A' ' 159' ' ' LEU . 9.3 mt -105.92 128.47 53.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 75.05 110.84 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.444 ' CG2' ' CD2' ' A' ' 78' ' ' PHE . 5.4 m -107.25 135.63 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 51.31 111.276 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -109.62 117.65 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.139 -0.482 . . . . 71.43 111.146 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -105.67 174.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 63.41 110.993 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.33 -178.05 40.36 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.566 -0.826 . . . . 73.31 112.655 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.66 25.36 10.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.795 0.331 . . . . 72.43 111.219 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.62 110.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.654 -0.784 . . . . 70.52 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' H5'2 ' A' ' 219' ' ' GNP . . . 94.91 -18.11 57.94 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 50.21 112.762 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 81' ' ' VAL . 29.4 m -60.8 -30.73 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 32.41 111.053 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.64 28.07 4.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 43.25 112.532 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -43.1 93.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 74.43 110.981 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -67.29 -32.21 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 54.25 110.904 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.658 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -63.5 -56.75 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 73.23 111.146 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.681 HD22 HG13 ' A' ' 152' ' ' VAL . 76.8 mt -56.16 -39.54 72.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 73.13 111.03 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.558 HG23 HG21 ' A' ' 55' ' ' ILE . 61.1 m -61.19 -61.42 2.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 71.32 110.724 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.561 HG21 ' CE1' ' A' ' 27' ' ' HIS . 48.4 mm -59.87 -31.09 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 73.34 110.957 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -59.22 -49.53 77.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 43.01 110.918 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.1 tp -70.23 -46.19 64.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 73.22 110.941 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.5 mm -59.62 -62.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 75.33 111.155 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 44.5 mt-30 -104.58 -99.47 0.32 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.445 -0.343 . . . . 64.11 111.063 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 8.2 p30 161.94 68.03 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.751 0.31 . . . . 73.52 110.694 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.561 ' CE1' HG21 ' A' ' 21' ' ' ILE . 15.0 p80 -174.26 152.1 1.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.903 0.383 . . . . 72.12 111.151 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.764 ' CZ ' " H2'" ' A' ' 219' ' ' GNP . 0.3 OUTLIER -73.23 91.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 74.34 110.552 179.632 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG22 ' CD1' ' A' ' 32' ' ' TYR . 1.6 p -49.42 149.48 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 51.42 111.217 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 45.9 t0 179.58 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 64.31 110.968 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -90.0 46.02 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 74.31 111.111 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.57 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -147.12 167.98 22.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 71.14 110.757 179.803 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -53.94 130.74 58.06 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.052 -0.522 . . . . 62.2 110.89 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -74.29 -46.84 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.479 2.119 . . . . 62.13 112.541 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -115.49 107.52 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 72.33 110.974 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.556 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.3 pp -155.76 167.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 74.11 111.499 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -108.2 17.94 21.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 71.41 111.149 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -76.99 59.39 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 74.03 110.608 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 p -53.97 175.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 72.45 111.044 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -143.67 162.93 34.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.292 -0.413 . . . . 61.11 110.883 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -140.41 130.09 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 75.23 110.72 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -119.16 149.56 41.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.25 110.915 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.441 ' HG3' HD22 ' A' ' 52' ' ' LEU . 28.7 tt0 -101.63 118.71 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 75.54 110.691 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG21 HD11 ' A' ' 53' ' ' LEU . 35.9 m -129.5 -178.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 50.33 111.096 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 t -122.5 101.45 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 61.31 111.185 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.547 HG13 HG11 ' A' ' 160' ' ' VAL . 11.7 mm -82.54 100.97 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 70.14 111.023 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t70 59.35 35.96 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.33 111.031 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.49 -25.34 25.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.655 -0.783 . . . . 63.55 112.581 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.98 115.33 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 62.32 110.916 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.2 m -76.41 122.29 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 70.12 110.876 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.3 m -150.33 146.89 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.859 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.68 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.5 OUTLIER -78.99 146.08 33.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.989 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD11 HG21 ' A' ' 44' ' ' VAL . 63.9 mt -123.66 90.24 3.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 73.02 110.741 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.05 94.71 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 71.24 111.063 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.558 HG21 HG23 ' A' ' 20' ' ' THR . 35.6 mm -81.19 112.2 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.14 110.906 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.695 ' C ' HD23 ' A' ' 56' ' ' LEU . 3.9 tt -95.67 123.94 39.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 71.13 110.787 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -92.2 121.38 33.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 71.31 110.702 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.03 178.88 5.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 70.15 110.796 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.66 157.44 20.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 65.11 111.129 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.93 -51.58 0.56 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 75.21 112.404 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -135.41 12.28 3.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.549 0.214 . . . . 64.42 111.274 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -80.04 163.97 23.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.892 0.377 . . . . 53.21 110.97 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.84 114.19 28.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 60.41 110.836 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -159.04 176.23 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 75.03 110.875 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -173.6 -51.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 72.42 111.025 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.03 -54.96 27.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 72.01 111.202 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mtm -74.69 -22.45 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 74.31 111.041 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -58.19 -24.3 58.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.451 -0.34 . . . . 72.52 111.09 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.98 -37.38 26.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 65.12 111.177 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.714 ' O ' HG23 ' A' ' 74' ' ' THR . 3.0 pt20 -62.36 -36.91 83.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.351 -0.386 . . . . 70.21 111.006 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -36.27 67.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 60.1 110.726 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.555 ' CB ' HG11 ' A' ' 103' ' ' VAL . 1.1 mtt -68.21 -38.12 81.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 62.51 110.671 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' HG2' HG13 ' A' ' 103' ' ' VAL . 1.2 mmt180 -70.61 -11.61 61.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.3 111.144 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 70' ' ' GLN . 70.6 p -101.71 -15.45 16.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.771 0.32 . . . . 52.45 111.249 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.36 111.92 4.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.599 -0.81 . . . . 74.53 112.75 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.1 -28.62 64.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.825 0.345 . . . . 55.33 110.856 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.432 ' O ' HG22 ' A' ' 7' ' ' VAL . . . -141.16 176.42 21.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.799 -0.715 . . . . 25.13 112.324 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.48 ' CE1' HG23 ' A' ' 100' ' ' ILE . 77.0 m-85 -140.19 137.34 34.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 75.11 110.977 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.594 HD13 HD12 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -117.33 123.45 46.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 51.42 110.732 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.8 ' HB3' HD12 ' A' ' 93' ' ' ILE . 15.2 m -96.43 105.87 18.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 73.11 111.027 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.428 ' O ' HG21 ' A' ' 14' ' ' VAL . 46.6 t -97.07 106.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.037 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.446 ' CD1' HD11 ' A' ' 113' ' ' LEU . 2.6 p90 -122.93 146.8 47.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 70.35 110.688 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 123.53 35.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 62.14 111.199 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.619 HD13 ' HD2' ' A' ' 123' ' ' ARG . 1.2 pp -62.21 -24.28 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 71.03 111.059 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.657 ' OD1' ' HB3' ' A' ' 122' ' ' ALA . 26.7 t30 -81.76 -16.56 50.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 54.1 111.152 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -118.58 100.22 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.791 0.329 . . . . 74.15 110.813 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.85 -31.92 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 33.34 110.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -53.52 -39.24 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 70.15 110.847 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.6 p -60.18 -43.87 95.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 74.33 110.506 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -59.09 -27.67 65.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 55.55 110.591 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.01 -34.76 66.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 71.43 110.714 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 11.1 m-20 -76.23 -31.36 58.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.989 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.8 HD12 ' HB3' ' A' ' 80' ' ' CYS . 29.9 mm -59.72 -31.7 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.445 -0.343 . . . . 75.43 110.714 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -70.91 -55.36 8.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 75.14 110.971 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -67.38 -28.75 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 74.33 111.037 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 3.2 m-85 -68.23 -49.7 58.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.388 -0.369 . . . . 65.23 110.695 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.574 HH22 HD22 ' A' ' 113' ' ' LEU . 1.8 tpp180 -52.32 -38.21 57.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 73.3 111.127 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.27 -36.29 77.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 62.32 110.906 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.492 ' HB3' ' HE3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -60.68 -36.81 79.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 75.23 110.898 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.513 ' CG2' HG21 ' A' ' 109' ' ' VAL . 20.0 mt -70.22 -40.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.33 111.081 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.664 ' HZ2' HG22 ' A' ' 109' ' ' VAL . 35.5 mmtt -55.77 -40.01 72.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 71.15 111.108 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -65.25 -55.66 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 70.54 110.747 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.555 HG11 ' CB ' ' A' ' 72' ' ' MET . 51.4 t -55.94 -52.86 44.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 74.41 111.088 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.08 -18.49 61.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 63.22 110.851 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.2 t0 62.6 31.88 16.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.947 0.403 . . . . 74.32 110.745 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 p -158.42 135.5 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.982 -0.554 . . . . 61.32 110.765 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.8 -24.13 62.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 71.33 111.045 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -102.14 89.87 3.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 61.32 110.945 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.664 HG22 ' HZ2' ' A' ' 101' ' ' LYS . 16.0 m -118.41 151.43 49.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 70.34 111.092 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.03 104.7 1.24 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.595 2.197 . . . . 72.41 112.278 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.646 ' HG3' HG21 ' A' ' 139' ' ' ILE . 12.1 ptp -151.67 172.29 16.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 62.12 110.887 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.444 HG11 HD13 ' A' ' 142' ' ' ILE . 16.9 t -145.81 154.57 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 44.24 111.187 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.574 HD22 HH22 ' A' ' 97' ' ' ARG . 6.4 tp -112.15 108.83 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 63.21 110.764 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.981 HG22 ' HB1' ' A' ' 155' ' ' ALA . 14.1 t -94.71 126.08 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 71.43 111.221 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.64 72.59 0.77 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.819 -0.705 . . . . 70.44 112.495 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.531 HD21 ' HB2' ' A' ' 146' ' ' ALA . 4.0 t-20 -60.24 173.01 0.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 72.14 110.923 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.529 ' CA ' HD23 ' A' ' 120' ' ' LEU . 12.9 mttt 59.74 46.74 11.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.924 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.5 t -83.27 -29.0 28.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 71.34 110.983 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -76.42 -13.9 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 70.23 111.363 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.529 HD23 ' CA ' ' A' ' 117' ' ' LYS . 4.1 mm? -52.59 161.37 0.72 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.767 0.318 . . . . 63.45 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -107.01 27.46 8.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 73.03 111.446 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.657 ' HB3' ' OD1' ' A' ' 85' ' ' ASN . . . -145.81 63.3 1.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 21.21 111.139 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.619 ' HD2' HD13 ' A' ' 84' ' ' ILE . 5.6 mmm-85 -63.34 91.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 73.22 110.997 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.443 HG21 ' O ' ' A' ' 85' ' ' ASN . 21.8 p -79.52 -30.65 41.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 73.22 110.865 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.62 100.09 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.255 -0.429 . . . . 65.53 110.907 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.21 159.97 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 64.3 110.909 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -29.43 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 71.44 110.975 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.4 tpt85 -60.0 -47.78 84.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 72.33 110.913 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -65.04 -42.62 94.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 72.43 111.096 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.472 ' HB1' ' CE1' ' A' ' 141' ' ' TYR . . . -68.49 -37.33 80.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.37 . . . . 73.44 111.101 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -31.31 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.839 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.21 -35.92 82.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.797 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 137' ' ' TYR . 24.6 tp -75.83 -51.47 12.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 64.11 110.931 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.02 96.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 65.21 111.303 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -57.18 -34.72 68.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 62.33 111.14 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.6 t -73.16 -30.89 63.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 73.23 110.787 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.421 ' CE2' HD11 ' A' ' 133' ' ' LEU . 20.0 m-85 -84.91 -18.97 33.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 73.34 111.11 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.48 16.84 65.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.671 -0.776 . . . . 72.01 112.548 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.646 HG21 ' HG3' ' A' ' 111' ' ' MET . 25.5 pt -107.77 152.91 41.75 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 72.21 111.324 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.443 ' HG2' HG22 ' A' ' 112' ' ' VAL . 44.7 Cg_endo -68.32 167.41 22.29 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.556 2.171 . . . . 73.21 112.388 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.472 ' CE1' ' HB1' ' A' ' 130' ' ' ALA . 50.9 t80 -143.82 121.55 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.05 110.825 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.834 HD11 HG21 ' A' ' 158' ' ' THR . 5.2 mp -127.85 148.62 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.31 111.02 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -111.35 134.47 52.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 65.44 110.575 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 151' ' ' GLY . 12.2 p -145.15 -177.55 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.976 0.417 . . . . 71.23 111.267 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.6 p -149.42 124.57 10.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 72.12 110.633 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.658 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.83 -33.5 68.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 52.13 111.355 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -76.14 -52.42 10.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 75.31 111.102 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -24.36 40.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.31 -0.405 . . . . 62.43 111.248 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 64.88 58.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 74.31 110.709 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -111.74 126.11 54.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.523 . . . . 71.32 111.017 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 144' ' ' THR . . . 52.57 23.71 15.06 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.9 -0.667 . . . . 43.44 112.994 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.681 HG13 HD22 ' A' ' 19' ' ' LEU . 26.2 t -57.73 -54.91 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.884 0.373 . . . . 64.34 111.035 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.43 -25.44 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 71.31 110.948 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -56.39 22.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.417 . . . . 72.12 110.961 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.981 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -55.98 -38.45 70.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 60.32 111.153 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -66.69 -50.29 63.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 73.53 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -58.25 -31.34 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 75.11 111.006 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.834 HG21 HD11 ' A' ' 142' ' ' ILE . 77.4 m -58.31 -36.63 73.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 63.52 111.016 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.594 HD12 HD13 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -63.3 -46.87 84.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.53 110.976 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.547 HG11 HG13 ' A' ' 46' ' ' ILE . 13.7 t -55.48 -46.21 78.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.104 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -35.7 75.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 54.13 110.795 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.24 -53.53 29.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.963 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.441 ' CD1' HD22 ' A' ' 159' ' ' LEU . 79.7 mt -58.45 -38.29 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.168 -0.469 . . . . 70.44 111.265 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -56.75 -42.11 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 74.32 110.908 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -64.28 -39.21 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 70.34 110.816 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.183 -0.913 . . . . 70.41 110.797 179.912 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 219' ' ' GNP . . . . . 0.837 " H3'" ' H8 ' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.6 ' SD ' HG22 ' A' ' 50' ' ' THR . 9.3 tpp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.003 0.43 . . . . 71.230000000000004 111.235 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.29 145.47 46.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.77 -0.65 . . . . 60.409999999999997 110.605 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -95.86 120.31 35.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 72.310000000000002 110.82 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.444 ' HB2' HD23 ' A' ' 53' ' ' LEU . 54.5 m-85 -111.21 103.12 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 73.129999999999995 110.986 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 94.26 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 70.219999999999999 110.618 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.545 HD12 HD11 ' A' ' 55' ' ' ILE . 50.6 mt -88.06 101.72 14.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 111.083 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.413 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 57.1 t -87.51 108.5 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.109999999999999 110.893 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.473 HG12 ' HG3' ' A' ' 16' ' ' LYS . 3.5 t -89.39 145.43 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 65.120000000000005 111.21 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 79' ' ' LEU . 19.3 m -129.51 157.36 42.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 73.129999999999995 110.965 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.49 154.31 19.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.574 -0.822 . . . . 60.109999999999999 112.648 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.765 ' HB2' ' CG ' ' A' ' 92' ' ' ASP . . . -72.85 -18.72 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.733 0.301 . . . . 72.439999999999998 111.438 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.0 -58.12 0.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.829 -0.701 . . . . 73.200000000000003 112.343 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.85 26.08 8.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 72.430000000000007 112.428 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.544 HG12 ' HB3' ' A' ' 89' ' ' SER . 35.8 m -77.74 -19.37 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.685 0.279 . . . . 72.109999999999999 111.524 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.75 13.76 11.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 43.409999999999997 112.45 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HG3' HG12 ' A' ' 8' ' ' VAL . 2.6 ttmt -58.81 -52.57 65.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.896 0.379 . . . . 71.120000000000005 110.716 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -72.77 -25.43 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 53.350000000000001 110.963 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.22 -38.53 78.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.382 -0.372 . . . . 63.219999999999999 111.13 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.495 HD23 HG13 ' A' ' 152' ' ' VAL . 1.8 mt -70.91 -36.9 72.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 52.439999999999998 110.893 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.488 HG23 ' CG2' ' A' ' 55' ' ' ILE . 88.7 m -68.11 -55.4 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 73.109999999999999 110.825 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.7 mm -55.16 -31.24 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 53.350000000000001 110.927 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -74.66 -44.98 47.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 71.099999999999994 110.791 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -70.91 -11.32 60.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.996 -0.547 . . . . 63.229999999999997 111.17 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.1 mm -111.03 -71.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 73.129999999999995 111.317 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -84.48 -25.63 28.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.120000000000005 111.373 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.828 0.347 . . . . 64.129999999999995 110.784 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.716 0.294 . . . . 71.349999999999994 110.811 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.7 ptt85 -146.13 116.73 7.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.405 . . . . 51.240000000000002 110.857 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -108.93 148.15 31.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 63.100000000000001 110.998 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -101.72 120.36 40.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 71.319999999999993 110.601 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.37 -178.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 71.319999999999993 111.254 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' ' 45' ' ' VAL . 9.1 p -124.97 107.97 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.513 . . . . 73.540000000000006 111.089 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.884 HG13 HG11 ' A' ' 160' ' ' VAL . 12.5 mm -84.83 101.52 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 63.030000000000001 111.139 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.17 44.21 22.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 64.310000000000002 111.042 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.17 20.45 64.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 63.509999999999998 112.626 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -123.4 93.21 3.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.909 0.385 . . . . 60.350000000000001 110.871 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.6 HG22 ' SD ' ' A' ' 1' ' ' MET . 52.9 m -59.92 119.99 8.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 63.329999999999998 111.033 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.6 m -150.95 153.95 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 65.109999999999999 110.777 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.572 HD23 ' HG2' ' A' ' 1' ' ' MET . 0.5 OUTLIER -82.79 147.01 28.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 71.239999999999995 111.047 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 4' ' ' TYR . 42.2 mt -126.81 94.15 3.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.310000000000002 110.725 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.93 91.22 8.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 71.040000000000006 111.181 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 55' ' ' ILE . 1.7 mp -83.85 113.44 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 62.539999999999999 110.632 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.65 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -91.07 122.66 33.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 73.439999999999998 110.733 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -104.06 104.3 14.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 74.549999999999997 110.736 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.65 HG22 HD21 ' A' ' 56' ' ' LEU . 3.1 p -85.74 -173.78 4.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 73.540000000000006 110.97 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 74.519999999999996 111.261 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.3 mmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.782 0.325 . . . . 44.32 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -31.61 62.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 51.420000000000002 110.987 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.27 -28.4 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.329999999999998 110.866 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -74.81 -39.66 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 72.409999999999997 110.915 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.59 -53.68 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 51.149999999999999 111.075 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.3 mtt -52.04 -43.52 63.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.267 -0.424 . . . . 64.519999999999996 110.988 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.44 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 73.0 mtp180 -67.18 -21.2 65.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 73.010000000000005 111.0 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.9 p -105.13 -0.97 26.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 72.420000000000002 111.494 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.413 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -89.87 129.72 9.85 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.5 -0.857 . . . . 73.019999999999996 112.866 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 40.3 mm-40 -74.49 -22.3 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 62.32 110.804 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.443 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -160.28 171.31 36.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.987 -0.625 . . . . 55.32 112.245 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CE2' HG23 ' A' ' 100' ' ' ILE . 90.8 m-85 -135.25 139.9 44.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 64.540000000000006 111.027 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.729 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -117.6 120.63 38.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.239999999999995 110.833 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.41 ' HB3' HD12 ' A' ' 93' ' ' ILE . 5.6 m -91.03 112.91 25.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 74.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.475 ' O ' HD11 ' A' ' 93' ' ' ILE . 42.3 t -101.01 121.06 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 63.219999999999999 111.064 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.65 147.88 52.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.349999999999994 110.791 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.75 123.68 40.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 62.009999999999998 110.937 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' A' ' 123' ' ' ARG . 6.8 pt -61.12 -26.69 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.329999999999998 110.963 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.652 ' OD1' HD12 ' A' ' 120' ' ' LEU . 0.6 OUTLIER -87.44 -26.13 23.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.966 -0.561 . . . . 73.209999999999994 110.964 -179.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -103.4 110.18 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.38 -0.373 . . . . 73.430000000000007 110.937 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -71.61 -22.3 61.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 73.409999999999997 110.973 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -59.17 -41.04 87.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.857 0.36 . . . . 72.049999999999997 110.584 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.544 ' HB3' HG12 ' A' ' 14' ' ' VAL . 56.1 p -59.42 -47.38 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.027 -0.533 . . . . 64.129999999999995 110.613 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.44 ' CE2' ' HG2' ' A' ' 129' ' ' GLN . 43.5 t80 -56.72 -23.2 40.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.999 -0.546 . . . . 63.210000000000001 110.806 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -79.26 -52.32 8.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 72.409999999999997 111.072 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.765 ' CG ' ' HB2' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -69.97 -31.23 68.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 44.310000000000002 111.131 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.475 HD11 ' O ' ' A' ' 81' ' ' VAL . 11.9 mm -61.6 -26.83 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 120.806 0.336 . . . . 53.32 110.737 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -73.55 -55.41 6.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.218 -0.447 . . . . 64.450000000000003 110.628 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -66.18 -28.48 68.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 70.140000000000001 110.975 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -56.93 -44.23 82.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 72.540000000000006 110.934 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.473 ' HA ' HD12 ' A' ' 100' ' ' ILE . 7.6 ttt85 -59.8 -39.91 86.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 72.319999999999993 110.999 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.94 -32.8 68.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.310000000000002 111.035 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -36.1 82.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.417 . . . . 73.420000000000002 110.79 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.564 HG23 ' CE2' ' A' ' 78' ' ' PHE . 30.9 mt -67.63 -48.82 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 74.439999999999998 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -55.38 -29.63 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 74.439999999999998 111.018 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -71.24 -58.73 3.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 75.230000000000004 110.806 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 41.0 t -58.1 -58.97 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 74.450000000000003 110.94 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -59.85 -23.7 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 71.430000000000007 110.805 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.7 t70 62.62 45.96 5.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.268 -0.423 . . . . 70.030000000000001 110.757 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.73 141.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.319999999999993 110.867 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.55 -31.45 68.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 74.420000000000002 110.811 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -78.9 97.4 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 63.039999999999999 110.737 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.528 HG13 ' HD2' ' A' ' 110' ' ' PRO . 49.6 t -136.59 136.47 21.94 Favored Pre-proline 0 N--CA 1.452 -0.375 0 CA-C-N 116.188 -0.46 . . . . 54.420000000000002 110.925 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.528 ' HD2' HG13 ' A' ' 109' ' ' VAL . 57.3 Cg_endo -71.72 108.01 2.32 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.834 2.356 . . . . 64.409999999999997 112.207 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.846 ' HG3' HG21 ' A' ' 139' ' ' ILE . 13.8 ptp -150.67 169.89 20.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 73.25 110.883 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.74 HG23 HD22 ' A' ' 159' ' ' LEU . 48.9 t -145.25 145.87 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 73.129999999999995 111.138 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.96 113.48 26.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 74.129999999999995 110.712 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.643 HG21 ' HB1' ' A' ' 155' ' ' ALA . 21.9 t -107.05 147.61 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 33.119999999999997 111.321 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.42 83.63 0.33 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.878 -0.677 . . . . 73.239999999999995 112.422 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -64.94 171.06 3.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.824 0.345 . . . . 63.420000000000002 111.001 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.56 47.46 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 75.510000000000005 110.815 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.56 16.61 13.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 61.200000000000003 111.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -110.48 -30.11 7.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.745 0.307 . . . . 71.420000000000002 111.017 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.652 HD12 ' OD1' ' A' ' 85' ' ' ASN . 15.5 mt -49.23 162.67 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.437 . . . . 73.519999999999996 111.149 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -111.26 26.68 10.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 60.100000000000001 111.508 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.21 66.64 1.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 50.219999999999999 111.205 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.615 ' HB3' HD12 ' A' ' 84' ' ' ILE . 8.6 ptp85 -84.08 140.71 31.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 72.109999999999999 111.05 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.1 p -108.38 -43.9 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 74.310000000000002 110.783 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.428 HG13 ' HB3' ' A' ' 129' ' ' GLN . 98.4 t -92.83 106.91 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 33.340000000000003 110.876 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.77 163.82 23.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.019999999999996 110.861 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.3 p -56.97 -29.33 63.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 63.43 111.094 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 32.3 tpt85 -56.0 -53.99 50.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 72.540000000000006 110.851 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.44 ' HG2' ' CE2' ' A' ' 90' ' ' PHE . 2.8 tt0 -61.0 -46.6 90.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.061 -0.518 . . . . 64.420000000000002 110.931 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.92 69.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 62.210000000000001 111.186 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -33.08 62.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 63.450000000000003 111.021 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -54.23 -47.28 72.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 65.540000000000006 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.5 mt -67.12 -47.47 71.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 72.010000000000005 111.145 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -64.86 -32.41 74.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.418 . . . . 62.130000000000003 111.034 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -33.64 33.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.644 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.6 t -77.74 -33.06 53.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 51.130000000000003 110.713 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.507 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.9 m-85 -88.25 -14.41 38.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.037 -0.529 . . . . 64.239999999999995 111.147 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.47 21.32 72.85 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.676 -0.773 . . . . 50.539999999999999 112.576 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.846 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.9 pt -110.34 156.63 39.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 72.310000000000002 111.577 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.609 ' HG2' HG13 ' A' ' 112' ' ' VAL . 53.9 Cg_endo -70.65 156.8 60.29 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.53 2.153 . . . . 75.430000000000007 112.355 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -127.51 117.0 21.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 75.239999999999995 110.784 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.896 HD11 HG21 ' A' ' 158' ' ' THR . 2.1 mp -121.09 152.59 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 71.310000000000002 110.925 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.17 130.24 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.409 . . . . 45.5 110.899 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 151' ' ' GLY . 30.5 p -142.39 176.06 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.439999999999998 110.943 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 p -148.14 121.47 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.530000000000001 110.815 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.28 -24.26 62.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 34.409999999999997 111.515 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -77.06 -57.21 3.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.424 -0.353 . . . . 73.239999999999995 111.219 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 40.8 p -83.74 -23.42 31.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 55.310000000000002 111.398 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 68.02 64.06 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.99 0.424 . . . . 71.340000000000003 110.805 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -113.15 120.27 40.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.029 -0.532 . . . . 73.319999999999993 110.957 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.491 ' O ' HG22 ' A' ' 144' ' ' THR . . . 54.75 27.29 42.81 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.855 -0.688 . . . . 71.519999999999996 112.739 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.495 HG13 HD23 ' A' ' 19' ' ' LEU . 25.7 t -56.34 -56.09 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 65.530000000000001 111.236 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -64.93 -27.48 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.109999999999999 110.944 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -35.47 71.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 63.119999999999997 110.868 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.643 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -72.2 -43.71 64.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 55.520000000000003 111.094 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -64.24 -49.41 72.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 74.430000000000007 110.92 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -52.61 -40.45 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 73.409999999999997 111.375 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.896 HG21 HD11 ' A' ' 142' ' ' ILE . 7.2 m -54.75 -37.43 65.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.853 0.359 . . . . 72.329999999999998 111.005 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.74 HD22 HG23 ' A' ' 112' ' ' VAL . 0.4 OUTLIER -57.41 -47.08 82.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 75.549999999999997 110.699 179.572 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.884 HG11 HG13 ' A' ' 46' ' ' ILE . 8.1 t -56.35 -34.46 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 51.240000000000002 111.002 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -65.86 -48.46 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 70.340000000000003 110.907 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.31 -47.25 82.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 73.010000000000005 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 40.7 mt -58.99 -57.42 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.165 -0.471 . . . . 72.319999999999993 110.931 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -40.61 27.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.867 -0.606 . . . . 73.439999999999998 111.141 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -59.54 -33.87 71.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 61.530000000000001 110.824 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.256 -0.878 . . . . 72.0 110.888 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.843 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.797 0.332 . . . . 73.140000000000001 111.14 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -103.1 149.76 24.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 65.349999999999994 110.875 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -102.83 107.14 17.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 74.239999999999995 110.746 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -97.08 146.19 25.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 54.200000000000003 110.961 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.8 100.55 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.540000000000006 110.729 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.654 HD12 ' CD1' ' A' ' 55' ' ' ILE . 15.2 mt -97.93 123.73 42.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 74.109999999999999 111.178 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.427 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 94.1 t -105.15 102.23 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.807 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.42 ' CG1' ' HG2' ' A' ' 16' ' ' LYS . 6.0 t -85.75 132.91 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 25.43 111.199 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 79' ' ' LEU . 6.2 m -109.64 168.85 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 62.450000000000003 111.082 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.65 149.93 21.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 73.010000000000005 112.529 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.87 10.42 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.635 0.255 . . . . 75.530000000000001 111.534 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.56 58.02 2.0 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.615 -0.802 . . . . 70.439999999999998 112.687 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.38 43.23 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 44.530000000000001 112.547 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 81' ' ' VAL . 35.3 m -119.06 -6.35 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 111.764 0.283 . . . . 64.120000000000005 111.764 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.9 21.14 40.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 65.430000000000007 112.553 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HG2' ' CG1' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -59.94 -58.39 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 75.299999999999997 110.787 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.63 -30.87 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 72.319999999999993 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.648 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -68.05 -50.92 52.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 73.540000000000006 111.039 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.658 ' CD2' HG13 ' A' ' 152' ' ' VAL . 17.1 mt -53.64 -43.72 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 74.519999999999996 110.942 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.668 HG21 ' HB2' ' A' ' 57' ' ' ASP . 89.0 m -65.23 -52.37 55.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 62.210000000000001 110.74 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.6 -28.99 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.239999999999995 110.943 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -67.07 -38.39 85.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 74.450000000000003 110.894 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.76 -11.74 59.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 62.450000000000003 111.469 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.1 mm -114.27 -67.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.784 0.326 . . . . 64.420000000000002 111.411 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -80.78 -28.66 36.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.308 -0.405 . . . . 62.030000000000001 111.093 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.275 -0.421 . . . . 73.219999999999999 110.987 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.867 0.365 . . . . 64.140000000000001 110.85 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.74 165.18 27.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 61.009999999999998 110.822 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tttt -149.27 145.81 27.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 73.019999999999996 110.858 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -108.31 119.4 39.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 70.430000000000007 110.928 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 46' ' ' ILE . 29.5 m -135.08 -178.47 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 70.109999999999999 111.079 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.2 101.59 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 63.399999999999999 111.101 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.744 ' CD1' HG21 ' A' ' 160' ' ' VAL . 17.4 mt -115.01 131.48 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 75.230000000000004 111.014 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 61.78 32.59 18.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 53.210000000000001 110.852 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.7 28.45 71.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.7 -0.762 . . . . 70.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -142.91 112.83 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 73.25 110.857 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -58.83 123.21 15.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 44.020000000000003 110.881 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.48 ' HB3' HG22 ' A' ' 2' ' ' THR . 64.2 m -144.06 145.31 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.906 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.843 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.5 OUTLIER -78.72 149.78 32.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 72.200000000000003 110.894 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.3 mt -126.7 82.36 2.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 74.230000000000004 110.873 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.11 95.95 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 60.020000000000003 110.965 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.656 ' CG2' HG23 ' A' ' 20' ' ' THR . 19.2 mm -79.63 108.43 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 62.130000000000003 110.959 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -84.23 118.96 24.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.230000000000004 111.035 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.668 ' HB2' HG21 ' A' ' 20' ' ' THR . 67.7 t0 -109.65 76.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.129999999999995 110.762 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.2 p -75.37 -176.46 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 40.020000000000003 111.06 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.996 -0.547 . . . . 75.120000000000005 111.263 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.81 0.338 . . . . 63.530000000000001 110.945 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -67.42 -30.73 70.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 71.150000000000006 110.995 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.08 -27.35 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 75.219999999999999 110.664 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -72.49 -38.75 68.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 63.130000000000003 110.698 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -75.89 -45.48 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 110.916 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.8 mtt -54.36 -50.81 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.417 . . . . 72.25 110.722 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.41 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 62.7 mtp180 -62.58 -27.62 69.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.966 -0.561 . . . . 62.43 111.043 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.8 p -98.2 18.07 17.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.067 -0.515 . . . . 75.209999999999994 111.351 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.86 125.93 6.77 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.428 -0.891 . . . . 63.299999999999997 112.617 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 3.7 mm-40 -68.98 -27.72 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.711 0.291 . . . . 75.219999999999999 110.829 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.27 -171.12 18.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.797 -0.716 . . . . 71.540000000000006 112.373 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.569 ' CE2' HG23 ' A' ' 100' ' ' ILE . 98.8 m-85 -147.18 145.08 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 51.329999999999998 111.055 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.004 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -125.89 122.79 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 73.530000000000001 110.813 179.793 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.757 ' HB3' HD12 ' A' ' 93' ' ' ILE . 23.8 m -97.85 119.88 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 110.862 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.479 ' O ' HG21 ' A' ' 14' ' ' VAL . 38.4 t -107.34 105.96 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.120000000000005 111.121 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD1' ' HA2' ' A' ' 115' ' ' GLY . 0.1 OUTLIER -113.19 156.92 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.120000000000005 110.693 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.85 125.15 50.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 71.430000000000007 111.161 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.814 HD12 ' HB3' ' A' ' 123' ' ' ARG . 2.8 pt -61.4 -28.92 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.329999999999998 110.701 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -83.33 -24.82 31.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 71.239999999999995 110.743 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -105.51 102.43 11.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 63.030000000000001 110.974 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.5 m -64.07 -29.8 70.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 73.099999999999994 110.912 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -56.48 -43.15 79.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 72.439999999999998 111.018 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.2 p -58.95 -47.5 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 70.25 110.797 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -57.04 -29.55 63.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 74.420000000000002 110.793 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -79.82 -40.51 28.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 61.350000000000001 110.844 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.406 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 1.1 m-20 -69.96 -31.18 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.757 HD12 ' HB3' ' A' ' 80' ' ' CYS . 8.3 mm -63.84 -29.56 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.301 -0.409 . . . . 73.439999999999998 110.541 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -69.93 -55.46 9.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 73.109999999999999 110.441 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -66.06 -28.3 68.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 73.420000000000002 110.882 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 2.0 m-85 -61.88 -42.18 98.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 74.420000000000002 110.923 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HA ' HD12 ' A' ' 100' ' ' ILE . 7.4 ttt85 -57.15 -36.38 70.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 54.310000000000002 111.007 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.06 -29.92 67.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 110.95 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -44.42 80.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.422 . . . . 62.130000000000003 110.905 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.569 HG23 ' CE2' ' A' ' 78' ' ' PHE . 12.7 mt -60.29 -52.34 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 64.219999999999999 110.917 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -52.33 -25.92 10.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 111.239 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -73.97 -58.52 3.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 73.319999999999993 110.813 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.41 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 38.3 t -59.45 -53.25 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 61.299999999999997 110.977 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -65.0 -25.83 68.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 74.400000000000006 110.893 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.5 t0 64.57 45.11 3.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.969 0.414 . . . . 73.150000000000006 110.778 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -171.61 156.78 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 61.229999999999997 110.911 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -84.95 -36.26 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 44.119999999999997 110.778 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.47 97.74 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 64.219999999999999 110.845 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.527 HG13 ' HD2' ' A' ' 110' ' ' PRO . 61.0 t -131.63 136.21 28.12 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.143 -0.48 . . . . 73.430000000000007 110.661 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.527 ' HD2' HG13 ' A' ' 109' ' ' VAL . 57.3 Cg_endo -72.22 102.62 1.39 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.826 2.351 . . . . 45.5 112.322 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.567 ' HE2' HD13 ' A' ' 100' ' ' ILE . 18.2 ptp -147.05 168.96 20.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 60.119999999999997 110.918 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.615 HG23 HD22 ' A' ' 159' ' ' LEU . 48.3 t -143.52 144.48 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.09 -0.505 . . . . 61.530000000000001 111.159 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 114' ' ' VAL . 5.8 tp -107.31 125.97 51.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 74.329999999999998 110.662 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.619 ' N ' HD12 ' A' ' 113' ' ' LEU . 21.2 t -113.24 144.57 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 72.439999999999998 111.229 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.416 ' HA2' ' CD1' ' A' ' 82' ' ' PHE . . . -108.05 72.42 0.21 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.791 -0.719 . . . . 62.229999999999997 112.272 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.515 HD21 ' HB2' ' A' ' 146' ' ' ALA . 0.9 OUTLIER -55.41 172.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 64.439999999999998 111.129 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.805 ' CG ' HD12 ' A' ' 120' ' ' LEU . 0.0 OUTLIER 68.38 45.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 61.409999999999997 111.063 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.6 p -89.84 9.16 28.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 74.409999999999997 111.277 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -106.2 -37.1 6.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.8 0.333 . . . . 75.030000000000001 110.76 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.805 HD12 ' CG ' ' A' ' 117' ' ' LYS . 26.2 mt -55.62 137.14 49.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.450000000000003 110.97 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.57 39.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 72.310000000000002 111.217 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.48 34.56 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 54.329999999999998 111.001 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.814 ' HB3' HD12 ' A' ' 84' ' ' ILE . 7.8 ptp85 -54.48 144.73 20.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.405 . . . . 72.349999999999994 111.12 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 34.7 p -112.94 -43.37 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 70.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.39 102.66 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 72.239999999999995 110.906 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -56.72 162.97 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 75.049999999999997 111.057 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.7 m -58.48 -42.56 87.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 51.219999999999999 111.018 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -54.81 -48.29 72.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 72.010000000000005 110.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -62.19 -35.9 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 75.329999999999998 110.985 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.34 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 34.030000000000001 111.204 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.63 -35.37 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 74.319999999999993 110.992 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -58.41 -37.11 74.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 74.120000000000005 110.957 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.2 tp -74.77 -51.1 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.530000000000001 110.87 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.42 98.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.010000000000005 111.121 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -59.09 -30.75 68.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 72.129999999999995 111.02 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -39.7 64.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 71.329999999999998 110.67 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.41 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 20.5 m-85 -70.83 -21.45 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 74.230000000000004 111.094 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.58 16.93 65.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 71.230000000000004 112.524 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.512 HD13 ' HG3' ' A' ' 111' ' ' MET . 6.2 pt -112.54 157.2 40.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.672 0.272 . . . . 72.040000000000006 111.51 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HG2' HG13 ' A' ' 112' ' ' VAL . 43.2 Cg_endo -68.35 163.97 34.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.644 2.229 . . . . 73.030000000000001 112.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -137.87 118.4 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 74.519999999999996 110.898 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.922 HD11 HG21 ' A' ' 158' ' ' THR . 3.2 mp -117.53 154.34 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 63.340000000000003 111.035 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.412 ' N ' HG22 ' A' ' 142' ' ' ILE . 0.9 OUTLIER -116.4 130.35 56.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 61.539999999999999 110.723 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.1 p -145.05 -174.34 4.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 53.420000000000002 111.25 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.1 p -151.99 123.71 7.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.983 -0.553 . . . . 72.019999999999996 110.751 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.648 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.77 -27.66 63.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.219999999999999 111.511 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -79.33 -56.97 3.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.353 -0.385 . . . . 70.120000000000005 111.206 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 p -79.69 -22.48 43.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.206 -0.452 . . . . 62.32 111.124 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.99 60.35 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.994 0.426 . . . . 75.510000000000005 110.78 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.37 124.32 50.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.918 -0.583 . . . . 62.229999999999997 110.798 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 53.72 24.86 27.22 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.763 -0.732 . . . . 60.32 112.764 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.658 HG13 ' CD2' ' A' ' 19' ' ' LEU . 98.0 t -54.37 -56.02 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-O 120.819 0.342 . . . . 61.439999999999998 111.245 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 2.2 mp0 -66.0 -25.96 67.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 72.109999999999999 110.791 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -40.12 80.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 52.119999999999997 110.94 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.593 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -66.83 -49.05 66.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 62.299999999999997 111.07 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -61.4 -44.68 96.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 74.230000000000004 110.907 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.3 m-85 -56.12 -34.47 66.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 61.229999999999997 111.072 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.922 HG21 HD11 ' A' ' 142' ' ' ILE . 88.0 m -61.02 -38.4 85.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 65.310000000000002 110.872 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 1.004 HD23 HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -54.92 -39.45 68.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 64.230000000000004 111.004 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.744 HG21 ' CD1' ' A' ' 46' ' ' ILE . 21.6 t -61.53 -47.51 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 71.120000000000005 111.071 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -60.8 -27.1 67.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 71.439999999999998 110.993 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -74.36 -48.01 30.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 70.349999999999994 111.015 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.451 HG12 ' HB2' ' A' ' 110' ' ' PRO . 34.3 mt -65.64 -36.91 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.231 -0.44 . . . . 70.209999999999994 111.13 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.23 -26.73 68.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 74.549999999999997 111.334 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -96.46 -23.24 16.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.532 -0.304 . . . . 74.510000000000005 111.362 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.418 -0.801 . . . . 71.239999999999995 111.136 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.407 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.786 0.327 . . . . 75.409999999999997 111.188 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 t -85.97 149.76 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.310000000000002 110.948 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.66 130.19 54.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 74.230000000000004 110.877 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -129.3 124.24 33.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 110.968 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.51 99.35 12.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 74.209999999999994 110.772 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.542 ' HB2' HD13 ' A' ' 55' ' ' ILE . 3.9 mm? -82.59 104.78 13.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 72.420000000000002 111.144 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.8 t -94.43 102.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 63.450000000000003 110.98 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.4 t -93.46 139.29 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 75.25 111.108 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.2 m -121.12 179.67 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 65.5 110.928 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.32 174.01 38.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.59 -0.814 . . . . 54.439999999999998 112.561 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.503 ' HB2' ' CG ' ' A' ' 92' ' ' ASP . . . -112.54 21.07 16.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.676 0.274 . . . . 73.340000000000003 111.286 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.15 -77.4 0.52 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.607 -0.806 . . . . 53.409999999999997 112.658 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.22 50.76 3.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.882 -0.675 . . . . 64.319999999999993 112.894 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG12 ' HB3' ' A' ' 89' ' ' SER . 33.0 m -119.16 -4.86 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.614 0.227 . . . . 72.430000000000007 111.614 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.05 25.2 71.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.64 -0.79 . . . . 70.209999999999994 112.364 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -37.97 88.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 72.349999999999994 110.99 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 p -75.53 -30.15 59.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.340000000000003 110.861 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.791 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -57.2 -51.21 70.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 63.520000000000003 111.184 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' CD2' HG13 ' A' ' 152' ' ' VAL . 38.7 mt -58.88 -37.29 76.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 73.329999999999998 110.919 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.619 HG23 ' CG2' ' A' ' 55' ' ' ILE . 88.2 m -59.12 -55.89 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 73.510000000000005 110.744 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 25' ' ' GLN . 30.6 mm -68.88 -28.05 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 72.209999999999994 110.969 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.428 ' HB3' HG11 ' A' ' 152' ' ' VAL . 1.0 OUTLIER -58.18 -37.62 75.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 65.310000000000002 110.945 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.0 tp -76.04 -47.55 24.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 45.5 110.98 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mm -72.14 -65.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 75.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.591 ' O ' HG22 ' A' ' 21' ' ' ILE . 12.7 mt-30 -130.1 93.71 3.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 73.310000000000002 110.531 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 71.349999999999994 111.249 -179.634 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.814 0.34 . . . . 64.409999999999997 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -135.64 112.58 10.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 74.209999999999994 110.927 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.15 146.31 40.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.031 0.443 . . . . 74.230000000000004 110.914 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -108.37 127.06 53.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.911 -0.586 . . . . 75.430000000000007 110.893 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 53' ' ' LEU . 28.1 m -132.85 -179.5 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 72.099999999999994 111.087 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.1 t -124.19 100.79 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 75.019999999999996 111.072 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.882 HG13 HG11 ' A' ' 160' ' ' VAL . 12.6 mm -86.12 99.74 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 73.109999999999999 111.05 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 61.42 53.49 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 72.400000000000006 110.842 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.23 27.99 73.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 23.32 112.536 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -136.74 106.61 6.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 73.209999999999994 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.2 m -61.31 143.46 55.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 52.109999999999999 110.935 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -159.72 142.73 14.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 33.329999999999998 111.019 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.407 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -82.04 134.8 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 73.120000000000005 110.695 179.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.537 HD11 HG21 ' A' ' 44' ' ' VAL . 79.9 mt -121.68 109.26 14.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 52.119999999999997 110.899 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -100.97 97.78 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.109999999999999 110.834 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.619 ' CG2' HG23 ' A' ' 20' ' ' THR . 11.7 mm -85.96 112.28 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 62.539999999999999 111.076 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -90.24 129.35 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 73.019999999999996 110.633 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' HB3' HG21 ' A' ' 20' ' ' THR . 13.5 p-10 -108.78 104.79 14.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 74.319999999999993 110.627 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.407 HG22 HD21 ' A' ' 56' ' ' LEU . 11.2 p -75.38 -173.71 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 51.32 110.84 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 32.299999999999997 111.077 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.2 mtm . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.832 0.348 . . . . 71.319999999999993 110.831 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -55.82 -32.23 63.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 75.329999999999998 111.032 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.2 -30.99 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 45.009999999999998 110.637 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -68.0 -40.84 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 63.329999999999998 110.661 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -70.33 -32.02 69.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 61.109999999999999 111.037 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.657 ' CB ' HG11 ' A' ' 103' ' ' VAL . 1.1 mtt -61.19 -53.35 58.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 74.409999999999997 110.854 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.67 ' HG2' HG13 ' A' ' 103' ' ' VAL . 19.2 mtm105 -60.59 -22.95 64.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 64.540000000000006 110.929 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.1 p -109.55 19.2 19.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 62.32 111.254 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.49 154.47 16.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.579 -0.82 . . . . 71.439999999999998 112.652 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.56 4.54 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.687 0.28 . . . . 72.549999999999997 111.369 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.26 165.68 36.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.679 -0.772 . . . . 74.219999999999999 112.555 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.612 ' CE2' HG23 ' A' ' 100' ' ' ILE . 68.1 m-85 -140.37 144.22 36.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 72.209999999999994 110.955 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.753 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -125.0 120.33 31.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 65.340000000000003 110.887 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.81 ' HB3' HD12 ' A' ' 93' ' ' ILE . 33.1 m -92.31 115.28 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 70.219999999999999 110.929 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.08 114.58 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.010000000000005 111.026 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.432 ' HB3' HG13 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -121.84 148.89 44.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 74.299999999999997 110.728 179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 86' ' ' ASN . . . -96.39 127.89 42.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 64.400000000000006 111.072 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' A' ' 123' ' ' ARG . 3.1 pt -59.07 -29.06 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 72.540000000000006 111.044 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 122' ' ' ALA . 45.4 t30 -86.31 -25.41 25.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.854 -0.612 . . . . 73.219999999999999 111.011 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -101.02 96.5 7.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.359 -0.382 . . . . 62.130000000000003 110.859 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.4 m -62.31 -27.2 68.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 73.450000000000003 111.006 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -58.29 -36.39 73.24 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.886 0.374 . . . . 75.040000000000006 110.499 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.667 ' HB3' HG12 ' A' ' 14' ' ' VAL . 60.1 p -62.29 -51.37 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 71.319999999999993 110.49 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.416 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 76.2 t80 -55.22 -25.65 34.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.546 . . . . 74.430000000000007 110.961 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.9 -56.51 4.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 60.039999999999999 111.122 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.503 ' CG ' ' HB2' ' A' ' 11' ' ' ALA . 1.2 p30 -63.67 -33.41 75.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 75.5 111.176 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.81 HD12 ' HB3' ' A' ' 80' ' ' CYS . 14.9 mm -60.13 -26.26 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 116.486 -0.325 . . . . 73.329999999999998 110.919 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -74.98 -55.39 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 55.439999999999998 110.611 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -66.8 -28.4 68.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.967 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -57.04 -37.14 71.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 75.019999999999996 110.904 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.456 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.8 OUTLIER -58.43 -39.28 79.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.574 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -54.2 -32.25 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 72.340000000000003 110.971 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -40.39 95.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 65.129999999999995 110.729 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.612 HG23 ' CE2' ' A' ' 78' ' ' PHE . 9.9 mt -70.22 -34.1 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 64.129999999999995 110.99 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.524 ' HZ3' HG22 ' A' ' 109' ' ' VAL . 3.5 mmpt? -61.59 -35.4 77.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 71.219999999999999 110.896 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -74.52 -58.72 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.120000000000005 110.864 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.67 HG13 ' HG2' ' A' ' 73' ' ' ARG . 45.8 t -55.09 -57.56 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 64.239999999999995 111.102 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -66.02 -27.0 67.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 51.240000000000002 110.912 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.2 t70 62.33 47.19 5.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 71.239999999999995 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.68 139.31 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 71.299999999999997 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -71.33 -33.52 69.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 75.5 110.921 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -94.83 92.37 6.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.120000000000005 110.939 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.524 HG22 ' HZ3' ' A' ' 101' ' ' LYS . 24.6 m -121.1 152.63 57.11 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 61.43 111.013 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.31 102.9 1.43 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.614 2.21 . . . . 41.32 112.271 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.602 ' HE2' HD13 ' A' ' 100' ' ' ILE . 9.0 ptp -154.69 166.43 33.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.381 . . . . 63.439999999999998 111.098 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.696 HG13 ' HG2' ' A' ' 140' ' ' PRO . 23.5 t -144.16 151.59 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 73.239999999999995 111.086 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.9 tp -111.89 114.47 27.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.530000000000001 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.849 HG21 ' HB1' ' A' ' 155' ' ' ALA . 39.0 t -109.73 153.18 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 62.229999999999997 111.03 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -118.94 91.12 0.5 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 54.119999999999997 112.499 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.643 HD21 ' HB2' ' A' ' 146' ' ' ALA . 9.6 t-20 -71.34 177.63 3.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.333 . . . . 74.120000000000005 110.881 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.407 ' HB3' HD23 ' A' ' 120' ' ' LEU . 1.7 mttt 63.05 38.41 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 73.140000000000001 111.0 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 13.0 t -72.42 -24.52 61.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 110.983 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -72.97 -24.32 60.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 62.329999999999998 111.153 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.407 HD23 ' HB3' ' A' ' 117' ' ' LYS . 3.8 mm? -50.66 142.79 10.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.436 -0.347 . . . . 62.009999999999998 111.121 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.73 22.15 7.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 65.120000000000005 111.43 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.416 ' HB3' ' OD1' ' A' ' 85' ' ' ASN . . . -145.38 71.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.433 -0.349 . . . . 62.149999999999999 110.961 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.611 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -78.03 85.01 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 42.219999999999999 110.948 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 23.2 p -57.78 -33.86 68.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 72.430000000000007 110.806 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.2 t -103.59 95.09 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.114 -0.494 . . . . 62.399999999999999 110.82 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -55.04 167.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 63.140000000000001 111.012 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.1 p -63.64 -38.4 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 65.329999999999998 111.065 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -59.81 -52.7 64.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 75.329999999999998 110.941 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -56.02 -42.15 76.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 73.430000000000007 110.994 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.12 -31.23 64.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 70.219999999999999 111.043 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -38.71 81.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 64.109999999999999 110.864 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -34.36 71.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 71.019999999999996 110.905 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.414 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 24.2 tp -75.6 -50.47 15.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.099999999999994 110.9 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.24 82.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 73.209999999999994 111.13 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -62.52 -32.66 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.329999999999998 110.92 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -29.37 62.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 64.239999999999995 110.681 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.414 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 19.8 m-85 -86.39 -20.08 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 75.400000000000006 111.191 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.31 21.4 70.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.597 -0.811 . . . . 64.25 112.409 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 4.0 pt -114.46 156.58 44.36 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.719 0.295 . . . . 62.399999999999999 111.218 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.696 ' HG2' HG13 ' A' ' 112' ' ' VAL . 56.2 Cg_endo -70.38 149.25 62.66 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.569 2.18 . . . . 64.510000000000005 112.158 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -114.18 105.89 13.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 73.230000000000004 110.874 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.7 HD11 HG21 ' A' ' 158' ' ' THR . 3.1 mp -105.82 145.55 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 63.310000000000002 111.134 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -117.82 121.51 40.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 75.120000000000005 110.759 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 18.7 p -138.67 -179.78 6.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 75.349999999999994 111.055 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.34 128.27 16.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 72.120000000000005 110.82 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.791 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -70.66 -23.45 62.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 72.319999999999993 111.438 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -82.56 -66.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.853 0.358 . . . . 74.239999999999995 111.07 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.8 p -68.98 -23.2 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.530000000000001 111.113 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.411 ' CD ' HG21 ' A' ' 152' ' ' VAL . 0.0 OUTLIER 63.45 65.51 0.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.003 0.43 . . . . 71.420000000000002 110.792 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.26 121.2 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 72.219999999999999 110.912 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 62.14 18.52 57.85 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 64.439999999999998 112.805 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.431 HG13 ' CD2' ' A' ' 19' ' ' LEU . 27.0 t -55.25 -55.5 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.916 0.389 . . . . 75.299999999999997 111.141 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 6.3 mt-10 -63.66 -28.63 70.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.519 . . . . 71.439999999999998 110.865 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -58.2 -47.57 83.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 71.299999999999997 110.994 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.849 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -59.98 -48.1 83.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 61.140000000000001 111.084 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -59.78 -49.14 78.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 74.040000000000006 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 19.0 m-85 -54.64 -36.99 65.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 74.439999999999998 111.018 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.7 HG21 HD11 ' A' ' 142' ' ' ILE . 3.9 m -57.04 -38.42 73.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 75.349999999999994 110.941 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.753 HD23 HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -58.86 -44.2 91.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 61.149999999999999 110.808 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.882 HG11 HG13 ' A' ' 46' ' ' ILE . 11.2 t -59.07 -41.73 84.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 71.430000000000007 111.02 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -67.64 -28.83 68.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 73.239999999999995 110.942 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.86 -49.95 33.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 73.400000000000006 110.896 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 34.3 mt -57.57 -57.56 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 120.986 0.422 . . . . 75.409999999999997 110.973 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -33.32 54.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.868 -0.605 . . . . 74.030000000000001 111.015 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -31.9 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 74.519999999999996 110.756 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 81.0 t60 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.254 -0.879 . . . . 73.510000000000005 110.82 179.904 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.629 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.787 0.327 . . . . 64.329999999999998 111.19 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.444 HG22 ' HB3' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -92.74 149.66 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 63.149999999999999 110.774 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.42 108.8 20.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 74.310000000000002 110.865 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -98.9 124.3 43.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.230000000000004 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -98.41 97.2 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 75.519999999999996 110.656 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.965 HD23 HD23 ' A' ' 159' ' ' LEU . 0.6 OUTLIER -90.8 123.5 34.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 75.540000000000006 111.039 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.433 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 87.0 t -113.66 102.26 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 74.409999999999997 111.057 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.466 HG12 ' HG3' ' A' ' 16' ' ' LYS . 12.8 t -85.02 143.07 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.417 . . . . 54.549999999999997 110.949 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 79' ' ' LEU . 11.2 m -113.18 160.3 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 73.310000000000002 111.098 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.92 148.16 19.78 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.806 -0.711 . . . . 53.420000000000002 112.394 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.06 -17.61 13.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.68 0.276 . . . . 70.140000000000001 111.394 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.06 76.7 0.52 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.767 -0.73 . . . . 53.100000000000001 112.427 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.64 35.33 2.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 75.409999999999997 112.44 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.49 -26.37 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 72.25 111.201 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.4 25.09 7.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 31.52 112.488 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HG3' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -60.34 -58.37 8.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.868 0.365 . . . . 63.219999999999999 110.791 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -30.13 70.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 54.109999999999999 111.018 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.83 70.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.099999999999994 111.115 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.43 HD23 HG13 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -61.41 -36.36 80.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 73.209999999999994 110.936 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.447 HG23 HG22 ' A' ' 55' ' ' ILE . 62.7 m -58.38 -50.43 73.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 55.340000000000003 111.077 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.85 -32.11 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 73.310000000000002 110.779 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -64.38 -37.61 88.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 43.310000000000002 110.674 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.579 HD12 ' CD2' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -76.65 -15.26 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 73.420000000000002 111.322 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mm -106.56 -69.58 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.758 0.314 . . . . 73.549999999999997 111.524 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -84.82 -26.83 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 74.530000000000001 111.308 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 72.400000000000006 110.939 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.794 0.331 . . . . 72.0 110.773 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.84 115.09 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 73.109999999999999 110.899 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -106.18 149.47 26.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 73.519999999999996 110.849 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -100.93 120.23 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 63.229999999999997 110.967 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.408 HG22 ' HG ' ' A' ' 53' ' ' LEU . 14.0 m -133.63 178.01 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.401 . . . . 74.310000000000002 111.085 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 45' ' ' VAL . 7.9 p -119.46 102.74 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 63.539999999999999 111.155 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.907 HG13 HG11 ' A' ' 160' ' ' VAL . 5.3 mm -86.7 116.07 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 54.5 111.118 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 57.9 31.95 21.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 74.5 111.06 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.68 3.82 85.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 71.549999999999997 112.854 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -109.13 107.13 17.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.873 0.368 . . . . 73.150000000000006 110.768 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -58.8 119.84 7.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.867 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.444 ' HB3' HG22 ' A' ' 2' ' ' THR . 51.8 m -147.36 148.66 31.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 43.049999999999997 110.927 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.629 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -79.02 150.16 32.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 64.430000000000007 110.939 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' HG22 ' A' ' 44' ' ' VAL . 22.7 mt -126.59 87.69 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 72.519999999999996 110.854 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -81.58 92.12 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 71.030000000000001 110.943 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.804 HD13 HD13 ' A' ' 6' ' ' LEU . 23.4 mm -82.63 109.19 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 75.319999999999993 111.175 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.15 135.39 46.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 71.439999999999998 110.919 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HB2' HG21 ' A' ' 20' ' ' THR . 18.0 t70 -114.31 69.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.400000000000006 110.799 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.2 p -75.25 -173.76 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 72.109999999999999 110.759 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 61.119999999999997 111.192 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 16.2 ptp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.805 0.336 . . . . 73.420000000000002 111.083 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -55.56 -28.13 53.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.395 -0.366 . . . . 70.450000000000003 111.15 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -78.5 -29.46 46.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 55.310000000000002 111.065 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 74' ' ' THR . 4.2 pt20 -76.26 -34.36 59.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.777 0.322 . . . . 73.450000000000003 110.954 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -78.42 -56.83 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 75.010000000000005 110.773 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.5 mtt -51.72 -48.44 63.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 62.310000000000002 110.874 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -60.81 -22.16 63.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 72.349999999999994 110.94 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 70' ' ' GLN . 53.8 p -103.4 -1.14 29.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.47 . . . . 65.230000000000004 111.371 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.433 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -92.22 130.03 10.12 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.629 -0.796 . . . . 74.040000000000006 112.907 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.02 -22.4 58.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 73.310000000000002 110.677 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 179.56 30.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.873 -0.68 . . . . 74.319999999999993 112.192 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.433 ' CD1' ' HB ' ' A' ' 7' ' ' VAL . 93.1 m-85 -148.9 136.4 20.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 73.420000000000002 110.928 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.607 HD12 HD22 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -117.17 125.22 50.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 72.129999999999995 110.784 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.513 ' O ' HD12 ' A' ' 113' ' ' LEU . 16.5 m -97.09 115.53 27.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 64.310000000000002 110.925 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.8 t -102.6 109.06 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 61.049999999999997 111.216 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.66 141.89 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 63.350000000000001 110.611 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.28 123.64 34.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 73.439999999999998 111.164 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.637 HD12 ' HB2' ' A' ' 123' ' ' ARG . 6.8 pt -65.14 -28.96 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 61.130000000000003 110.781 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' HG13 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -82.2 -31.05 30.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 42.240000000000002 110.584 179.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.18 103.53 13.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 71.239999999999995 110.991 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.448 HG23 HG22 ' A' ' 125' ' ' VAL . 11.0 m -66.86 -26.04 66.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.109999999999999 110.907 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -56.82 -49.9 74.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 70.519999999999996 111.138 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 p -54.45 -38.38 66.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 41.009999999999998 111.043 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -57.33 -29.0 63.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 64.549999999999997 110.904 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.87 -41.75 51.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 74.420000000000002 110.835 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.61 -32.24 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 75.310000000000002 110.842 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.429 HD12 ' HB3' ' A' ' 80' ' ' CYS . 11.0 mm -63.92 -25.75 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 116.352 -0.385 . . . . 75.329999999999998 110.747 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -75.86 -50.51 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.616 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -28.94 62.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.150000000000006 111.031 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.6 -41.36 98.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 74.299999999999997 110.805 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.433 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 59.9 ttt-85 -60.34 -42.06 94.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 63.530000000000001 110.807 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.45 -27.54 68.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 72.439999999999998 111.195 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -38.29 83.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.331 -0.395 . . . . 74.150000000000006 110.971 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.588 HD12 ' HE1' ' A' ' 111' ' ' MET . 63.8 mt -60.93 -58.9 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 75.129999999999995 110.978 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -53.71 -37.92 63.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 74.150000000000006 111.07 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -57.54 -58.02 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 62.340000000000003 111.187 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 p -72.14 -30.9 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 62.240000000000002 111.409 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.421 ' HG3' HG22 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -77.74 -19.12 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 62.530000000000001 111.218 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 t70 65.8 48.45 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 74.400000000000006 110.729 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.48 122.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.906 -0.588 . . . . 74.319999999999993 110.737 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.48 -25.17 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 72.340000000000003 111.156 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -102.55 99.95 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.368 -0.378 . . . . 62.119999999999997 111.165 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.518 HG21 ' CG2' ' A' ' 100' ' ' ILE . 28.1 m -125.74 153.14 73.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 51.219999999999999 110.994 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.64 102.05 1.25 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.582 2.188 . . . . 74.439999999999998 112.35 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.588 ' HE1' HD12 ' A' ' 100' ' ' ILE . 16.8 ptp -147.11 168.46 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 54.340000000000003 110.944 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.685 HG13 ' HG2' ' A' ' 140' ' ' PRO . 41.6 t -143.77 147.72 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 64.140000000000001 111.196 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.574 HD23 ' HB2' ' A' ' 134' ' ' ALA . 13.9 tp -107.62 131.2 54.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 75.409999999999997 110.765 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 1.021 HG21 ' HB1' ' A' ' 155' ' ' ALA . 57.4 t -128.18 152.28 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 63.039999999999999 111.165 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.26 88.36 0.48 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.909 -0.662 . . . . 42.409999999999997 112.351 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -67.38 171.94 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 50.32 111.137 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.1 mttp 63.84 41.9 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 73.129999999999995 110.952 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 26.3 t -83.24 -16.29 47.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.540000000000006 111.213 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -84.89 -19.25 32.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.51 -0.314 . . . . 65.510000000000005 111.349 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.93 178.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.714 0.292 . . . . 45.130000000000003 111.166 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.61 23.74 7.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 72.420000000000002 111.321 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.4 74.55 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 61.210000000000001 110.99 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.637 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -84.5 114.99 22.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 41.140000000000001 110.795 -179.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 36.7 p -89.1 -65.05 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 71.219999999999999 110.657 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.448 HG22 HG23 ' A' ' 87' ' ' THR . 39.3 t -70.65 99.47 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.030000000000001 110.894 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.09 156.08 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 73.129999999999995 111.186 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.8 t -55.35 -28.3 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 72.120000000000005 110.913 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.51 -52.19 65.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.273 -0.421 . . . . 72.209999999999994 110.741 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.5 -47.44 85.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.123 -0.489 . . . . 73.219999999999999 110.851 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.71 99.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 52.200000000000003 111.035 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.49 -35.76 77.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 75.409999999999997 110.921 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.26 -31.27 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 61.340000000000003 110.823 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.409 HD23 HD21 ' A' ' 113' ' ' LEU . 13.1 tp -80.35 -51.45 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 50.530000000000001 110.927 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.574 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -62.06 -43.47 98.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 64.329999999999998 111.114 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -63.19 -29.3 70.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 65.420000000000002 111.132 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.4 m -73.96 -34.86 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 74.420000000000002 110.871 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 20.5 m-85 -79.33 -15.57 57.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 74.109999999999999 111.222 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.69 19.34 71.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.665 -0.778 . . . . 63.109999999999999 112.564 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.49 HG21 ' HG3' ' A' ' 111' ' ' MET . 19.2 pt -112.53 154.6 44.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 73.049999999999997 111.296 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.685 ' HG2' HG13 ' A' ' 112' ' ' VAL . 43.5 Cg_endo -67.89 150.48 78.37 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.557 2.171 . . . . 61.109999999999999 112.305 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -119.27 116.9 27.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 65.420000000000002 110.913 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.884 HD11 HG21 ' A' ' 158' ' ' THR . 2.0 mp -117.06 150.64 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 74.329999999999998 111.088 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -113.61 127.72 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 73.329999999999998 110.746 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 151' ' ' GLY . 10.7 p -140.3 175.79 9.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.942 0.401 . . . . 71.319999999999993 111.161 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.6 t -150.52 124.57 9.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 30.219999999999999 110.646 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.07 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 55.009999999999998 111.54 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -68.19 -66.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 74.129999999999995 111.161 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 14.9 t -83.51 -19.59 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.476 -0.329 . . . . 64.439999999999998 111.517 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 70.1 37.3 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 70.329999999999998 110.737 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.38 126.18 31.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 74.400000000000006 110.962 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.528 ' O ' HG22 ' A' ' 144' ' ' THR . . . 55.11 24.7 36.62 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.929 -0.653 . . . . 72.340000000000003 112.821 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.43 HG13 HD23 ' A' ' 19' ' ' LEU . 2.3 t -60.7 -55.3 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-O 120.872 0.368 . . . . 54.509999999999998 110.688 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.02 -31.38 72.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 51.329999999999998 110.68 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -45.34 83.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 72.239999999999995 110.958 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 1.021 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -58.27 -47.74 82.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 53.329999999999998 111.267 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.579 ' CD2' HD12 ' A' ' 23' ' ' LEU . 70.2 m-85 -72.73 -44.74 61.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 73.400000000000006 110.967 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -56.68 -35.49 68.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 55.530000000000001 110.979 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.884 HG21 HD11 ' A' ' 142' ' ' ILE . 92.4 m -60.07 -36.88 78.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 63.229999999999997 110.919 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.965 HD23 HD23 ' A' ' 6' ' ' LEU . 34.1 tp -67.59 -30.64 70.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 110.831 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.907 HG11 HG13 ' A' ' 46' ' ' ILE . 21.9 t -58.13 -39.42 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 74.409999999999997 111.044 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -76.36 -28.9 56.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 64.239999999999995 110.872 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -70.32 -48.35 56.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 74.439999999999998 111.013 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.48 -39.76 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 116.367 -0.379 . . . . 60.329999999999998 111.266 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -44.73 89.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.409 . . . . 62.009999999999998 110.957 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -55.51 -29.96 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 62.229999999999997 111.051 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.192 -0.908 . . . . 74.329999999999998 110.889 179.912 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.814 0.34 . . . . 64.540000000000006 111.289 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.09 149.76 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 74.340000000000003 110.714 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -110.57 122.97 49.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 61.310000000000002 110.866 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -107.48 134.46 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.140000000000001 110.949 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -112.22 92.08 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 73.219999999999999 110.555 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.724 HD22 HD12 ' A' ' 159' ' ' LEU . 9.7 mt -88.81 131.98 34.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 74.219999999999999 111.13 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.404 HG21 ' HA3' ' A' ' 75' ' ' GLY . 95.9 t -104.91 107.79 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 64.430000000000007 111.008 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -91.81 139.27 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 73.230000000000004 111.065 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 79' ' ' LEU . 4.5 m -117.71 175.28 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 53.329999999999998 111.047 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.29 154.0 23.04 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 63.310000000000002 112.48 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.85 16.53 13.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 65.019999999999996 111.439 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.65 -15.06 61.29 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.649 -0.786 . . . . 74.109999999999999 112.938 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.1 50.62 0.47 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.575 -0.822 . . . . 32.299999999999997 112.7 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -117.45 -8.29 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.668 0.247 . . . . 51.350000000000001 111.668 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.98 32.95 42.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.66 -0.781 . . . . 72.340000000000003 112.573 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -30.87 69.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.772 0.32 . . . . 61.310000000000002 110.948 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.54 -36.46 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 73.450000000000003 110.904 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -58.64 -59.57 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 63.350000000000001 111.134 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.565 HD21 HG11 ' A' ' 81' ' ' VAL . 2.8 pp -56.41 -26.72 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 70.340000000000003 110.986 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.847 HG23 HG21 ' A' ' 55' ' ' ILE . 75.8 m -71.66 -58.88 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 74.140000000000001 110.83 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.82 -30.44 42.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 74.129999999999995 111.117 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 11.2 mm-40 -65.07 -44.75 87.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 73.420000000000002 110.645 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.706 HD13 ' CD2' ' A' ' 156' ' ' PHE . 0.6 OUTLIER -76.78 -2.91 35.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 63.329999999999998 111.449 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.0 mm -114.83 -65.83 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.839 0.352 . . . . 74.439999999999998 111.399 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.06 20.98 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 71.040000000000006 111.844 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 3.0 p-10 . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 120.792 0.33 . . . . 52.530000000000001 111.484 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.831 0.348 . . . . 75.400000000000006 110.747 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -128.25 106.46 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 75.430000000000007 110.889 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' O ' HD13 ' A' ' 52' ' ' LEU . 9.1 tttm -114.14 146.08 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 61.119999999999997 110.819 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -102.9 117.53 34.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.951 -0.568 . . . . 64.239999999999995 110.624 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 53' ' ' LEU . 33.0 m -127.69 177.79 5.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 71.519999999999996 111.156 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.34 100.9 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 111.096 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.888 HG13 HG11 ' A' ' 160' ' ' VAL . 16.6 mm -81.56 99.66 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 62.240000000000002 111.166 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 t70 57.32 31.98 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.140000000000001 111.06 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.63 -28.26 16.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.73 -0.748 . . . . 74.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.75 113.0 15.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 63.5 110.951 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.6 m -78.67 121.79 25.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 55.229999999999997 110.85 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.8 m -151.23 150.4 30.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 54.049999999999997 111.019 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -78.62 150.43 32.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 53.219999999999999 110.467 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.555 HD11 HG21 ' A' ' 44' ' ' VAL . 45.7 mt -123.59 96.97 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 72.140000000000001 111.013 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.92 100.55 13.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 74.310000000000002 110.802 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.847 HG21 HG23 ' A' ' 20' ' ' THR . 22.2 mm -93.09 110.46 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 61.210000000000001 111.074 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.544 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -92.26 117.15 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.109999999999999 110.577 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -99.15 107.95 20.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.219999999999999 110.875 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.544 HG22 HD21 ' A' ' 56' ' ' LEU . 6.4 p -93.09 -173.82 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 64.409999999999997 110.797 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 75.420000000000002 111.109 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.891 0.377 . . . . 73.230000000000004 110.785 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -59.6 -39.24 83.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 61.109999999999999 110.846 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -70.37 -31.22 68.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.511 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -63.5 -42.26 98.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 73.239999999999995 110.583 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -69.03 -30.77 69.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.009 -0.541 . . . . 72.340000000000003 111.083 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.606 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.1 mtt -62.49 -58.19 8.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 72.230000000000004 110.796 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.415 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 50.0 mtp85 -55.67 -27.06 47.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 73.319999999999993 110.957 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.9 p -106.42 19.33 20.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 65.340000000000003 111.202 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.404 ' HA3' HG21 ' A' ' 7' ' ' VAL . . . -108.94 113.65 3.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.608 -0.806 . . . . 53.549999999999997 112.635 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.23 -29.44 68.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.864 0.364 . . . . 71.430000000000007 110.819 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.43 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -149.73 -173.3 20.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.938 -0.648 . . . . 74.510000000000005 112.239 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -151.58 136.55 17.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 74.420000000000002 111.169 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.976 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -120.5 124.69 46.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 75.450000000000003 110.807 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.877 ' HB3' HD12 ' A' ' 93' ' ' ILE . 58.3 m -98.49 108.46 21.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 73.349999999999994 110.875 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.565 HG11 HD21 ' A' ' 19' ' ' LEU . 41.2 t -100.76 119.37 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 61.439999999999998 111.159 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.56 144.44 46.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.209999999999994 110.714 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.22 127.94 36.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.406 . . . . 74.230000000000004 111.178 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.871 HD12 ' CB ' ' A' ' 123' ' ' ARG . 5.6 pt -59.63 -30.85 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 63.310000000000002 110.976 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -79.65 -3.32 46.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 64.230000000000004 111.335 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -122.67 100.62 7.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.854 0.359 . . . . 73.409999999999997 110.917 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -63.85 -26.72 68.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 73.230000000000004 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -66.4 -42.08 88.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 73.430000000000007 110.595 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.1 m -60.93 -38.2 84.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 73.540000000000006 110.85 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -60.77 -49.38 77.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 71.129999999999995 110.852 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.8 -29.73 68.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 64.230000000000004 110.97 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' A' ' 95' ' ' GLN . 8.1 m-20 -70.52 -31.4 68.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 70.109999999999999 110.923 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.877 HD12 ' HB3' ' A' ' 80' ' ' CYS . 33.3 mm -61.5 -29.51 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 43.310000000000002 110.702 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -71.27 -52.83 16.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 54.210000000000001 110.706 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -71.99 -28.38 63.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 74.439999999999998 111.049 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 1.8 m-85 -64.22 -53.68 45.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 73.120000000000005 111.002 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.544 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -56.55 -35.69 68.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 74.519999999999996 111.155 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -59.86 -33.43 71.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 73.319999999999993 110.941 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -33.35 75.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 65.349999999999994 110.872 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.677 HD13 ' HE3' ' A' ' 111' ' ' MET . 33.5 mt -68.17 -44.14 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.319999999999993 110.99 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -58.63 -28.53 65.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 72.120000000000005 110.924 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -74.41 -58.23 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.430000000000007 110.932 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.606 HG11 ' HB2' ' A' ' 72' ' ' MET . 41.6 t -58.54 -58.59 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 73.530000000000001 110.86 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -61.0 -24.35 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 72.329999999999998 110.879 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.1 t0 63.15 35.09 13.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 62.100000000000001 110.7 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.08 138.14 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 73.340000000000003 110.914 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -71.38 -29.05 64.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.889 -0.596 . . . . 61.25 110.671 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.02 100.25 11.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.758 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.529 HG13 ' HD2' ' A' ' 110' ' ' PRO . 59.7 t -139.21 137.06 18.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.540000000000006 110.762 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.529 ' HD2' HG13 ' A' ' 109' ' ' VAL . 58.5 Cg_endo -72.32 102.82 1.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.758 2.306 . . . . 72.340000000000003 112.379 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.814 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -146.17 163.73 34.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 61.130000000000003 111.066 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.586 HG23 HD22 ' A' ' 159' ' ' LEU . 43.7 t -141.95 146.86 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 73.439999999999998 111.231 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.602 HD22 HG21 ' A' ' 93' ' ' ILE . 7.7 tp -107.69 111.85 24.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 75.340000000000003 110.742 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.758 HG22 ' HB1' ' A' ' 155' ' ' ALA . 15.9 t -98.68 144.53 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 72.140000000000001 111.268 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.1 80.06 0.26 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.76 -0.733 . . . . 74.239999999999995 112.414 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.544 HD21 ' HB2' ' A' ' 146' ' ' ALA . 4.5 t-20 -63.12 174.61 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 63.240000000000002 110.978 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.467 ' HB3' HD23 ' A' ' 120' ' ' LEU . 2.0 mttp 61.74 48.85 5.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 73.540000000000006 110.933 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.1 t -82.26 -6.27 59.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 71.540000000000006 111.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -97.24 -22.4 16.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.644 0.259 . . . . 72.409999999999997 111.087 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 117' ' ' LYS . 3.8 mm? -48.84 133.98 17.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.49 -0.323 . . . . 51.25 111.09 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.41 26.48 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 74.040000000000006 111.313 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.83 36.9 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.428 -0.351 . . . . 71.310000000000002 111.109 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.871 ' CB ' HD12 ' A' ' 84' ' ' ILE . 12.1 ptm180 -55.86 128.59 35.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 73.329999999999998 110.976 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.9 p -98.63 -38.19 9.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 110.813 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 50.2 t -105.56 94.18 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.098 -0.501 . . . . 74.019999999999996 111.077 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.71 158.57 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.303 -0.408 . . . . 72.409999999999997 110.882 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.0 p -58.88 -23.71 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 45.450000000000003 111.106 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -62.81 -52.92 61.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 73.099999999999994 110.959 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.59 -35.36 78.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.209999999999994 110.976 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.0 70.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 72.329999999999998 111.216 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -40.62 94.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 72.319999999999993 110.869 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.41 -46.31 83.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 73.519999999999996 110.942 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.556 ' C ' HD13 ' A' ' 133' ' ' LEU . 3.0 tm? -62.57 -51.04 68.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 74.319999999999993 111.023 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.415 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -65.47 -38.02 88.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 54.509999999999998 111.219 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -65.05 -27.45 68.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 64.329999999999998 111.105 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.91 -28.92 61.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 71.030000000000001 110.775 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.552 ' HE2' HD11 ' A' ' 133' ' ' LEU . 21.0 m-85 -85.35 -21.48 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 74.140000000000001 111.177 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.46 15.52 63.89 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.632 -0.794 . . . . 51.450000000000003 112.627 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.814 HG21 ' HG2' ' A' ' 111' ' ' MET . 22.0 pt -107.17 152.49 41.14 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 120.719 0.295 . . . . 72.450000000000003 111.297 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.433 ' HG2' HG13 ' A' ' 112' ' ' VAL . 37.6 Cg_endo -66.24 155.5 69.52 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.538 2.159 . . . . 62.100000000000001 112.255 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -130.56 117.94 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 75.109999999999999 110.862 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.844 HD11 HG21 ' A' ' 158' ' ' THR . 5.1 mp -122.05 144.63 30.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 55.039999999999999 110.909 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -111.21 127.82 55.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 72.549999999999997 110.671 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 23.6 p -139.84 179.24 6.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 74.420000000000002 111.158 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 p -141.43 119.39 11.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.933 -0.576 . . . . 55.119999999999997 110.661 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.544 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -74.23 -22.85 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 54.350000000000001 111.483 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -86.2 -45.29 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 65.299999999999997 111.178 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.09 -12.54 30.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 73.319999999999993 111.448 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.507 ' HD3' HG21 ' A' ' 152' ' ' VAL . 1.1 tpt85 57.39 73.77 0.45 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.912 0.386 . . . . 63.109999999999999 110.901 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -125.08 113.47 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 43.030000000000001 110.839 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 57.52 20.29 37.56 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 32.119999999999997 112.763 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.507 HG21 ' HD3' ' A' ' 149' ' ' ARG . 33.2 t -54.78 -55.22 16.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.873 0.368 . . . . 45.409999999999997 111.061 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.611 ' HG2' HD12 ' A' ' 23' ' ' LEU . 82.4 mt-10 -60.12 -25.76 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 72.439999999999998 110.797 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -57.72 -52.17 66.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 70.299999999999997 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.758 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -57.99 -45.06 87.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 64.430000000000007 111.123 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.706 ' CD2' HD13 ' A' ' 23' ' ' LEU . 12.4 m-85 -58.81 -52.01 67.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 75.140000000000001 110.971 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.72 -31.42 58.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 74.239999999999995 111.119 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.844 HG21 HD11 ' A' ' 142' ' ' ILE . 2.5 m -59.25 -40.25 85.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 41.439999999999998 110.826 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.976 HD23 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -59.32 -42.75 92.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 74.409999999999997 110.929 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.888 HG11 HG13 ' A' ' 46' ' ' ILE . 11.3 t -60.38 -40.61 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 72.319999999999993 110.978 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -68.42 -30.33 69.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 74.239999999999995 110.91 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.97 -48.91 61.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 52.32 110.933 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 76.7 mt -57.74 -52.66 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.223 -0.444 . . . . 73.450000000000003 111.354 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -37.38 36.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 64.030000000000001 111.152 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -60.64 -31.55 70.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 73.109999999999999 110.823 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.251 -0.88 . . . . 61.32 110.795 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.623 ' SD ' HD23 ' A' ' 52' ' ' LEU . 31.7 ttm . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.938 0.399 . . . . 51.340000000000003 111.13 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.84 149.71 52.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.079 -0.51 . . . . 75.409999999999997 110.601 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -94.78 118.51 31.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 71.409999999999997 110.777 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -107.27 105.86 16.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 74.420000000000002 111.017 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.2 104.75 8.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 71.019999999999996 110.731 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.765 HD13 HD13 ' A' ' 55' ' ' ILE . 0.6 OUTLIER -96.42 127.3 42.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 70.129999999999995 111.146 -179.748 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.422 HG23 ' HA3' ' A' ' 75' ' ' GLY . 89.6 t -106.27 107.57 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 73.310000000000002 110.923 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.0 t -86.55 139.45 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 55.340000000000003 111.082 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.49 166.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 70.409999999999997 111.085 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.4 -73.36 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.686 -0.768 . . . . 23.129999999999999 112.568 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.533 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . -176.59 -172.44 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 73.420000000000002 111.089 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.95 28.13 16.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 74.329999999999998 112.472 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.2 44.61 0.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.841 -0.695 . . . . 71.200000000000003 112.357 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.533 HG13 ' HB3' ' A' ' 11' ' ' ALA . 3.6 m -111.01 -25.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 34.240000000000002 111.436 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.45 23.27 5.49 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.707 -0.759 . . . . 65.439999999999998 112.311 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.82 -46.51 81.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 71.129999999999995 111.055 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.529 ' O ' HD12 ' A' ' 21' ' ' ILE . 14.5 m -56.82 -51.4 69.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 61.439999999999998 110.976 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.711 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -58.32 -40.69 82.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 62.210000000000001 111.083 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.715 HD23 HG13 ' A' ' 152' ' ' VAL . 2.9 mt -63.34 -42.1 98.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 70.340000000000003 110.994 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.675 HG23 ' CG2' ' A' ' 55' ' ' ILE . 84.9 m -66.08 -46.71 76.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 111.131 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 17' ' ' SER . 1.5 mp -65.59 -34.43 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.315 -0.402 . . . . 73.530000000000001 110.9 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.536 ' CB ' HG11 ' A' ' 152' ' ' VAL . 29.1 mm-40 -59.65 -39.59 84.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.357 -0.383 . . . . 62.5 110.713 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -76.64 -5.8 49.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 75.319999999999993 111.298 179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.1 mm -116.45 -71.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.7 0.286 . . . . 74.409999999999997 111.399 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -83.49 -24.91 31.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.019999999999996 111.261 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 70.439999999999998 111.202 179.829 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.871 0.367 . . . . 72.129999999999995 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -143.59 113.9 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 72.450000000000003 110.815 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -119.52 147.44 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 53.210000000000001 111.072 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -106.76 118.89 37.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.976 -0.556 . . . . 72.310000000000002 110.703 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 53' ' ' LEU . 35.9 m -134.15 178.51 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 71.340000000000003 111.211 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -121.21 100.82 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 73.329999999999998 111.21 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.761 HD12 HG11 ' A' ' 160' ' ' VAL . 36.2 mt -115.98 133.51 62.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.340000000000003 110.895 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t0 67.19 31.47 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 54.100000000000001 110.786 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.65 31.12 78.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 74.109999999999999 112.649 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -147.54 113.85 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 62.140000000000001 110.802 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.8 m -60.24 123.69 17.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 71.099999999999994 110.773 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 97.8 m -145.66 144.03 30.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 73.200000000000003 110.99 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.623 HD23 ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -78.46 143.35 36.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.125 -0.489 . . . . 64.409999999999997 110.791 179.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.458 HD11 HG21 ' A' ' 44' ' ' VAL . 60.3 mt -119.66 104.61 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 53.109999999999999 110.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -90.96 96.55 10.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 74.409999999999997 110.814 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.765 HD13 HD13 ' A' ' 6' ' ' LEU . 14.5 mm -86.46 108.71 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 71.209999999999994 111.061 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.542 HD21 HG22 ' A' ' 58' ' ' THR . 2.6 tt -102.58 131.93 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 72.519999999999996 110.756 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.47 104.35 9.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 74.230000000000004 110.649 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.542 HG22 HD21 ' A' ' 56' ' ' LEU . 8.1 p -75.4 -175.85 2.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 75.549999999999997 110.925 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 73.129999999999995 111.176 -179.901 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.0 mmt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.745 0.307 . . . . 63.310000000000002 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -58.29 -37.86 75.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 73.310000000000002 110.791 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.32 -29.32 63.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 71.349999999999994 110.782 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -67.46 -50.81 57.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 74.209999999999994 110.735 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -55.81 -40.61 72.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 74.099999999999994 111.262 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mtt -59.76 -55.65 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 61.109999999999999 110.881 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.452 ' CG ' HG13 ' A' ' 103' ' ' VAL . 7.7 mtt-85 -61.88 -19.33 62.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 62.340000000000003 111.287 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.4 p -104.04 -2.57 25.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.511 -0.313 . . . . 73.0 111.533 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.422 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -101.62 122.34 7.53 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.527 -0.845 . . . . 20.34 112.672 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.1 -29.93 70.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 73.299999999999997 110.748 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.34 -167.07 12.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.92 -0.657 . . . . 53.049999999999997 112.32 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.488 ' CE2' HG23 ' A' ' 100' ' ' ILE . 96.6 m-85 -151.34 139.16 19.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.919 0.39 . . . . 73.329999999999998 111.124 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.816 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -120.41 123.24 42.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 72.530000000000001 110.666 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.823 ' HB3' HD12 ' A' ' 93' ' ' ILE . 48.4 m -100.87 114.41 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 73.140000000000001 111.027 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.481 HG11 HD12 ' A' ' 19' ' ' LEU . 62.4 t -109.09 110.24 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 64.409999999999997 111.093 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.401 ' CD1' HD11 ' A' ' 113' ' ' LEU . 3.0 p90 -123.11 143.2 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 64.019999999999996 110.519 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.04 123.68 31.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 70.430000000000007 111.078 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.914 HD12 ' HB3' ' A' ' 123' ' ' ARG . 7.3 pt -57.28 -31.66 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 71.049999999999997 111.088 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -75.07 -31.62 61.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.576 . . . . 72.150000000000006 111.051 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -101.26 104.69 15.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 63.509999999999998 111.049 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.511 HG23 HG22 ' A' ' 125' ' ' VAL . 7.4 m -68.52 -21.72 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 75.519999999999996 111.022 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -61.39 -43.77 98.3 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.389 -0.369 . . . . 54.210000000000001 110.866 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -59.11 -38.83 80.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.296 -0.411 . . . . 54.530000000000001 110.823 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.424 ' CE1' HD22 ' A' ' 133' ' ' LEU . 25.0 t80 -60.16 -28.79 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 75.310000000000002 110.861 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -71.88 -34.04 68.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 63.43 110.983 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.3 -32.62 66.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 74.420000000000002 110.87 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.823 HD12 ' HB3' ' A' ' 80' ' ' CYS . 29.3 mm -59.61 -25.57 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 71.120000000000005 111.021 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -77.94 -55.37 5.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 64.310000000000002 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -28.42 68.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 71.530000000000001 111.013 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.32 -44.34 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.356 . . . . 74.230000000000004 110.854 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -43.13 82.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 63.240000000000002 110.915 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.92 -38.49 79.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 62.310000000000002 110.921 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -38.73 86.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 75.329999999999998 110.7 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.488 HG23 ' CE2' ' A' ' 78' ' ' PHE . 61.7 mt -65.47 -50.84 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 62.32 110.856 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -40.46 58.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 73.010000000000005 110.933 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -58.9 5.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.225 -0.443 . . . . 71.239999999999995 111.04 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.452 HG13 ' CG ' ' A' ' 73' ' ' ARG . 72.6 t -56.73 -59.46 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 64.239999999999995 111.085 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.6 OUTLIER -59.61 -23.22 62.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 54.310000000000002 110.763 179.76 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.1 t0 63.15 42.84 6.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 74.030000000000001 110.829 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.28 137.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.517 . . . . 73.510000000000005 110.938 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.31 -32.08 73.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.814 -0.63 . . . . 73.25 110.769 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -76.64 96.94 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 64.109999999999999 110.661 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.501 HG13 ' HD2' ' A' ' 110' ' ' PRO . 48.4 t -135.88 136.44 23.28 Favored Pre-proline 0 N--CA 1.453 -0.297 0 CA-C-N 116.218 -0.446 . . . . 72.109999999999999 110.946 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.501 ' HD2' HG13 ' A' ' 109' ' ' VAL . 57.6 Cg_endo -73.05 101.06 1.29 Allowed 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.741 2.294 . . . . 73.439999999999998 112.164 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.513 ' HG3' HG21 ' A' ' 139' ' ' ILE . 18.3 ptp -141.73 165.89 26.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 55.32 111.103 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.595 HG23 HD22 ' A' ' 159' ' ' LEU . 57.6 t -142.19 146.44 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 40.310000000000002 110.936 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 80' ' ' CYS . 8.1 tp -109.44 107.0 16.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 64.519999999999996 110.901 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.759 HG22 ' HB1' ' A' ' 155' ' ' ALA . 17.5 t -94.43 150.52 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 74.200000000000003 111.17 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -121.32 84.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.819 -0.705 . . . . 53.119999999999997 112.38 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.502 HD21 ' HB2' ' A' ' 146' ' ' ALA . 1.7 t-20 -66.83 172.85 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 74.030000000000001 111.035 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.674 ' HB3' HD11 ' A' ' 120' ' ' LEU . 0.3 OUTLIER 57.54 67.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 73.519999999999996 111.032 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.9 t -110.34 -19.55 12.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 64.530000000000001 111.114 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.93 -54.9 23.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.429 -0.35 . . . . 72.430000000000007 111.077 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.699 HD13 ' H ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -53.79 162.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 63.130000000000003 111.147 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.81 39.9 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 63.030000000000001 111.106 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -131.44 60.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 71.140000000000001 110.977 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.914 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -91.36 146.12 24.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 75.510000000000005 111.134 -179.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.4 p -108.43 -39.66 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.617 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.511 HG22 HG23 ' A' ' 87' ' ' THR . 38.7 t -95.47 101.22 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 61.43 110.967 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -55.78 161.69 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 71.140000000000001 111.128 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.7 t -61.4 -42.99 99.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 65.200000000000003 111.092 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -54.14 -46.11 72.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.92 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -60.19 -41.7 93.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.230000000000004 110.889 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.7 -30.46 64.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 53.119999999999997 110.959 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -73.14 -35.07 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 63.240000000000002 110.896 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.88 -31.86 72.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 60.210000000000001 110.913 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.424 HD22 ' CE1' ' A' ' 90' ' ' PHE . 14.6 tp -78.68 -51.41 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 72.510000000000005 110.979 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.18 -51.43 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 54.350000000000001 111.113 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -58.29 -25.34 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 72.239999999999995 111.093 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.51 -28.98 59.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 72.230000000000004 110.794 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.411 ' HB2' HG12 ' A' ' 139' ' ' ILE . 25.3 m-85 -94.52 -5.06 46.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 74.239999999999995 111.42 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.84 23.83 77.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 55.340000000000003 112.486 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.513 HG21 ' HG3' ' A' ' 111' ' ' MET . 17.6 pt -111.94 154.16 44.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 75.329999999999998 111.354 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.51 167.36 22.78 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.608 2.205 . . . . 72.530000000000001 112.369 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -143.55 106.81 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 60.530000000000001 110.784 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.956 HD11 HG21 ' A' ' 158' ' ' THR . 2.2 mp -112.71 153.69 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 65.310000000000002 111.088 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -120.2 139.09 53.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 74.430000000000007 110.951 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 151' ' ' GLY . 16.3 p -147.81 -177.9 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 73.400000000000006 110.989 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.8 p -146.03 114.59 6.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 53.43 110.709 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.711 ' HB1' ' CB ' ' A' ' 18' ' ' ALA . . . -66.32 -19.19 65.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 62.439999999999998 111.451 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -83.0 -66.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.501 -0.318 . . . . 55.219999999999999 111.092 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.8 p -75.43 -20.61 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 65.340000000000003 111.227 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 65.26 66.3 0.55 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.936 0.398 . . . . 75.5 110.891 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -116.87 120.38 38.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 71.430000000000007 110.8 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.467 ' O ' HG22 ' A' ' 144' ' ' THR . . . 60.13 23.69 59.94 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.806 -0.711 . . . . 74.239999999999995 112.606 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.715 HG13 HD23 ' A' ' 19' ' ' LEU . 61.5 t -58.39 -58.82 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 120.734 0.302 . . . . 63.299999999999997 111.055 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 13.1 mt-10 -62.04 -26.01 68.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 53.109999999999999 110.906 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -42.62 82.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 43.530000000000001 110.949 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.759 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -68.27 -42.67 79.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.439999999999998 111.008 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -63.66 -51.4 65.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 110.881 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.5 m-85 -53.63 -31.49 47.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 55.32 110.97 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.956 HG21 HD11 ' A' ' 142' ' ' ILE . 51.1 m -59.81 -41.56 91.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 41.420000000000002 110.853 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.816 HD23 HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -58.65 -48.07 82.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 73.439999999999998 110.961 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.761 HG11 HD12 ' A' ' 46' ' ' ILE . 20.9 t -54.53 -44.7 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 74.340000000000003 111.129 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -35.12 76.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 72.439999999999998 110.712 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -67.2 -45.89 75.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.549999999999997 110.761 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 21.1 mt -61.65 -48.01 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.12 -0.491 . . . . 63.009999999999998 111.146 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -51.04 -30.7 16.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 73.510000000000005 111.104 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -68.4 -41.55 80.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 70.109999999999999 110.808 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.232 -0.89 . . . . 71.219999999999999 110.718 179.854 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.753 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.897 0.38 . . . . 44.219999999999999 111.14 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.66 149.9 20.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.319999999999993 110.751 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -105.13 108.66 20.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 71.5 110.868 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -97.41 131.66 43.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 62.439999999999998 110.904 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.9 99.1 8.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 63.130000000000003 110.855 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.815 HD13 HD23 ' A' ' 159' ' ' LEU . 12.1 mt -99.01 136.73 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 41.299999999999997 110.944 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 78' ' ' PHE . 3.2 m -110.26 106.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 75.230000000000004 111.151 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.92 145.13 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 54.140000000000001 111.29 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.7 164.25 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 63.219999999999999 110.971 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.57 165.59 35.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.65 -0.786 . . . . 24.420000000000002 112.594 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.38 23.46 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.692 0.282 . . . . 74.099999999999994 111.342 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.65 -85.94 1.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 71.010000000000005 112.641 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.12 58.18 5.05 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 55.530000000000001 112.733 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.581 HG11 ' HB3' ' A' ' 89' ' ' SER . 30.3 m -133.44 20.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 54.439999999999998 111.316 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.12 30.53 73.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 62.439999999999998 112.548 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -58.52 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 70.109999999999999 110.876 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 p -69.51 -28.21 65.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 54.420000000000002 110.92 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.699 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -53.27 -50.48 64.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.383 . . . . 54.329999999999998 111.241 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.04 -40.24 95.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 72.109999999999999 110.82 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.618 HG23 ' CG2' ' A' ' 55' ' ' ILE . 87.0 m -59.68 -57.28 13.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 74.219999999999999 110.927 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.07 -31.65 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 71.099999999999994 110.803 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -65.08 -45.79 83.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 74.109999999999999 110.888 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.775 HD13 ' O ' ' A' ' 23' ' ' LEU . 2.9 tm? -76.71 -13.75 60.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 42.310000000000002 111.377 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.2 mm -99.73 -75.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.67 0.271 . . . . 73.430000000000007 111.321 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -85.13 -27.59 26.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 64.299999999999997 111.305 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 71.120000000000005 110.809 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.79 0.329 . . . . 63.25 110.846 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.49 123.8 10.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 73.030000000000001 110.885 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.456 ' O ' HD13 ' A' ' 52' ' ' LEU . 66.5 tttt -112.83 148.89 33.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 62.439999999999998 110.805 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.5 ' HG3' HD22 ' A' ' 52' ' ' LEU . 30.5 tt0 -99.86 119.55 38.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 72.200000000000003 110.929 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -131.88 175.61 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 62.43 111.109 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -116.91 105.7 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 73.120000000000005 111.044 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.563 ' CD1' HG21 ' A' ' 160' ' ' VAL . 49.1 mt -120.24 140.4 44.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 71.510000000000005 110.963 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t0 65.41 15.86 10.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 43.439999999999998 111.173 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.05 -18.04 52.94 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.728 -0.749 . . . . 71.340000000000003 112.884 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -106.54 145.06 32.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 72.540000000000006 111.179 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.7 m -76.02 136.38 39.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 73.010000000000005 110.678 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 61.6 m -153.75 145.11 23.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 64.319999999999993 110.943 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.753 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -83.18 143.29 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 64.519999999999996 110.751 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 53' ' ' LEU . 28.4 mt -114.87 86.22 2.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 72.439999999999998 110.942 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 96.18 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 71.420000000000002 110.825 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.618 ' CG2' HG23 ' A' ' 20' ' ' THR . 20.2 mm -92.85 110.51 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.129999999999995 111.132 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.46 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -92.41 124.7 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 55.350000000000001 110.622 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -103.73 103.94 13.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 73.129999999999995 110.563 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.46 HG22 HD21 ' A' ' 56' ' ' LEU . 20.9 p -75.23 -178.69 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 62.119999999999997 110.877 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 41.32 111.184 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.833 0.349 . . . . 73.299999999999997 110.824 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -33.76 72.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.040000000000006 110.856 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -76.68 -29.73 56.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 110.885 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -67.46 -33.27 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 74.450000000000003 110.924 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -72.32 -35.52 68.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 72.209999999999994 111.212 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.551 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.6 mtt -57.23 -50.77 71.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.844 0.354 . . . . 74.530000000000001 110.702 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.429 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 58.5 mtm-85 -63.53 -21.23 66.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.075 -0.511 . . . . 72.349999999999994 110.971 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.0 p -106.37 14.26 27.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 70.230000000000004 111.337 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -115.39 118.62 4.34 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.496 -0.859 . . . . 71.540000000000006 112.701 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.55 -25.21 63.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.729 0.299 . . . . 75.540000000000006 110.905 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.494 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -143.13 153.69 24.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 73.120000000000005 112.37 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.43 ' CE2' HG21 ' A' ' 7' ' ' VAL . 2.7 m-85 -123.98 125.43 44.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 74.219999999999999 111.076 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.691 HD12 HD22 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -112.19 130.29 55.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 53.420000000000002 110.999 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.782 ' HB3' HD12 ' A' ' 93' ' ' ILE . 57.7 m -107.17 117.0 32.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 63.520000000000003 110.709 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -103.28 113.72 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 71.010000000000005 111.317 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.22 147.76 48.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 63.329999999999998 110.591 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.509 ' HB1' ' HG3' ' A' ' 117' ' ' LYS . . . -98.26 123.85 42.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 64.150000000000006 111.174 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.785 HD12 ' CB ' ' A' ' 123' ' ' ARG . 3.2 pt -60.2 -26.83 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 111.072 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -74.63 -30.65 61.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 65.25 110.945 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -98.87 104.85 16.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.382 -0.372 . . . . 73.030000000000001 111.068 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.6 m -65.23 -23.37 67.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.409999999999997 110.924 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -69.62 -48.45 59.95 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.336 -0.393 . . . . 74.420000000000002 110.594 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.581 ' HB3' HG11 ' A' ' 14' ' ' VAL . 1.9 m -59.61 -30.79 68.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 62.329999999999998 110.782 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -59.6 -41.7 90.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 73.140000000000001 110.75 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.69 -29.18 61.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 72.230000000000004 110.995 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 0.6 OUTLIER -61.9 -31.33 71.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 73.219999999999999 110.821 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.782 HD12 ' HB3' ' A' ' 80' ' ' CYS . 32.1 mm -61.73 -30.81 49.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 74.439999999999998 110.737 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -69.58 -55.4 10.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 74.140000000000001 110.671 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -66.47 -30.03 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 63.439999999999998 111.007 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.7 m-85 -62.48 -40.32 96.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 72.450000000000003 110.924 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.444 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 11.7 ttt85 -66.11 -30.72 71.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 71.140000000000001 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.76 -36.35 83.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 62.210000000000001 110.944 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -63.43 -39.28 94.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 51.43 110.857 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.587 HD12 ' HE1' ' A' ' 111' ' ' MET . 60.1 mt -63.94 -48.65 85.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 65.549999999999997 111.014 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -54.58 -36.02 63.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 111.156 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -62.94 -59.02 5.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 62.039999999999999 111.138 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.551 HG11 ' HB2' ' A' ' 72' ' ' MET . 95.9 t -64.12 -52.61 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 62.409999999999997 110.824 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.43 ' HD2' ' CE1' ' A' ' 78' ' ' PHE . 4.4 mtpm? -62.94 -26.77 68.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 73.310000000000002 110.919 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.3 t0 62.61 46.18 5.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 74.150000000000006 110.868 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.47 161.47 6.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.811 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.17 -56.37 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 65.329999999999998 110.871 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -72.55 85.04 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.129999999999995 110.912 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.51 152.93 58.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 72.120000000000005 111.083 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HB3' ' HA ' ' A' ' 163' ' ' ILE . 42.2 Cg_endo -67.58 113.85 3.09 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.554 2.17 . . . . 72.129999999999995 112.459 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.619 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.2 ptp -165.22 164.59 20.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 62.009999999999998 110.979 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.529 HG13 ' HG2' ' A' ' 140' ' ' PRO . 21.4 t -144.53 152.76 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.140000000000001 111.284 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.65 HD23 ' HB2' ' A' ' 134' ' ' ALA . 5.6 tp -114.83 112.16 22.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 61.310000000000002 110.831 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.714 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 21.9 t -102.68 146.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 75.120000000000005 111.145 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.45 87.72 0.47 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.794 -0.717 . . . . 65.150000000000006 112.57 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.509 HD21 ' HB2' ' A' ' 146' ' ' ALA . 12.5 t-20 -67.35 174.47 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.756 0.312 . . . . 71.129999999999995 110.828 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.879 ' HB3' HD12 ' A' ' 120' ' ' LEU . 11.4 mmtm 62.94 45.1 5.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 71.510000000000005 110.889 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 12.3 t -81.94 -22.49 36.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 64.340000000000003 111.241 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -90.94 -19.01 23.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.444 -0.344 . . . . 74.310000000000002 111.466 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.879 HD12 ' HB3' ' A' ' 117' ' ' LYS . 5.7 mt -48.03 142.49 5.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.772 0.32 . . . . 74.510000000000005 111.09 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -92.7 19.29 7.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 65.420000000000002 111.563 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.31 69.83 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.818 0.342 . . . . 64.430000000000007 110.968 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.785 ' CB ' HD12 ' A' ' 84' ' ' ILE . 6.5 ptp85 -89.0 132.75 34.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 74.140000000000001 110.926 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.9 p -103.95 -46.76 4.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 65.420000000000002 110.733 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.2 t -94.53 103.95 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 73.349999999999994 110.904 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -59.43 161.5 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 71.420000000000002 110.954 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.3 p -61.87 -40.65 96.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 62.350000000000001 111.043 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -55.8 -43.71 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.230000000000004 110.982 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -66.22 -35.93 81.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -35.92 67.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 111.152 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -35.5 76.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 72.319999999999993 110.866 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.46 -44.44 89.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.843 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.553 HD22 ' O ' ' A' ' 133' ' ' LEU . 1.1 tm? -68.26 -51.76 41.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.258 -0.428 . . . . 74.510000000000005 111.047 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.65 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -62.38 -32.39 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 75.239999999999995 110.993 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -65.12 -26.19 68.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 73.120000000000005 111.1 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.1 m -74.62 -28.82 61.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.954 0.407 . . . . 70.510000000000005 110.726 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.482 ' HE2' HD11 ' A' ' 133' ' ' LEU . 23.1 m-85 -83.2 -21.56 33.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.969 -0.56 . . . . 71.140000000000001 111.097 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.44 16.29 64.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.715 -0.755 . . . . 64.230000000000004 112.631 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.619 HG21 ' HG3' ' A' ' 111' ' ' MET . 29.4 pt -107.91 153.79 41.44 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.723 0.297 . . . . 74.049999999999997 111.361 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.529 ' HG2' HG13 ' A' ' 112' ' ' VAL . 56.1 Cg_endo -69.96 150.21 66.67 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.581 2.187 . . . . 71.340000000000003 112.281 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -124.9 118.53 26.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 72.400000000000006 110.804 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.951 HD11 HG21 ' A' ' 158' ' ' THR . 4.8 mp -117.05 145.06 23.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 72.230000000000004 110.952 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -110.89 131.23 55.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 62.439999999999998 110.819 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 150' ' ' GLN . 19.1 p -146.21 177.81 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.407 . . . . 75.049999999999997 111.275 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.93 127.31 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 72.230000000000004 110.818 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.699 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.82 -18.44 62.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 71.120000000000005 111.493 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -90.63 -51.61 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.555 -0.293 . . . . 72.439999999999998 111.295 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 149' ' ' ARG . 25.3 p -93.63 13.43 22.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.556 -0.293 . . . . 50.140000000000001 111.637 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 148' ' ' THR . 0.6 OUTLIER 28.25 63.56 0.11 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.129 0.418 . . . . 72.510000000000005 112.129 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 144' ' ' THR . 6.5 tt0 -110.47 108.1 17.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 71.209999999999994 111.16 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 75.9 12.91 83.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 64.409999999999997 112.989 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 59.0 t -57.18 -54.16 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-O 120.794 0.331 . . . . 74.150000000000006 111.062 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.446 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 4.4 mt-10 -59.99 -27.4 66.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 52.329999999999998 110.659 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -55.94 26.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 54.0 110.707 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.714 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -51.8 -47.53 64.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 74.129999999999995 111.345 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.21 -51.13 70.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 75.510000000000005 110.912 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.5 m-85 -58.32 -34.27 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 71.420000000000002 111.058 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.951 HG21 HD11 ' A' ' 142' ' ' ILE . 4.7 m -57.13 -44.53 83.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.35 -0.386 . . . . 54.0 110.855 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.815 HD23 HD13 ' A' ' 6' ' ' LEU . 55.7 tp -59.85 -44.68 93.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 71.099999999999994 110.738 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' A' ' 46' ' ' ILE . 24.1 t -53.85 -37.77 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 111.071 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -76.39 -34.44 58.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 74.319999999999993 110.731 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.38 -43.58 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.019999999999996 110.873 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.404 ' HA ' ' HB3' ' A' ' 110' ' ' PRO . 67.7 mt -59.54 -51.15 76.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.254 -0.43 . . . . 64.150000000000006 111.24 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -57.63 -33.47 68.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 71.420000000000002 110.95 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -30.98 69.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 53.299999999999997 110.886 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 61.9 t60 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.228 -0.892 . . . . 65.439999999999998 110.818 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.463 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 121.055 0.455 . . . . 54.240000000000002 111.371 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.06 146.72 37.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.829 -0.623 . . . . 74.120000000000005 110.813 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.47 132.45 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 63.130000000000003 110.802 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -122.19 112.45 18.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 74.209999999999994 110.937 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 100.72 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 70.340000000000003 110.724 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.698 HD13 ' CD1' ' A' ' 55' ' ' ILE . 0.8 OUTLIER -94.23 126.63 39.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.109999999999999 111.091 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.404 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 94.4 t -112.48 103.46 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.024 -0.535 . . . . 71.430000000000007 110.951 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.7 t -77.31 140.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 72.319999999999993 111.057 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.6 m -143.89 -177.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.140000000000001 111.159 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.9 -174.89 15.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.722 . . . . 71.219999999999999 112.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.14 160.78 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 73.340000000000003 111.08 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.97 -83.67 0.02 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.838 -0.696 . . . . 74.129999999999995 112.587 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.41 -102.99 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.648 -0.787 . . . . 51.240000000000002 112.096 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.419 HG11 ' HB3' ' A' ' 89' ' ' SER . 35.1 m 42.22 30.83 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.803 0.335 . . . . 72.099999999999994 111.865 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 53.76 38.78 60.07 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.839 -0.696 . . . . 73.349999999999994 112.649 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -74.59 -58.4 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 73.239999999999995 110.998 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -37.07 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 55.130000000000003 110.861 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.91 -34.42 73.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 61.240000000000002 111.043 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.748 HD23 HG13 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -61.06 -38.66 86.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 62.350000000000001 110.841 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.535 HG23 HG21 ' A' ' 55' ' ' ILE . 83.8 m -68.21 -35.69 78.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 73.230000000000004 110.897 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.2 mm -62.08 -43.83 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 72.310000000000002 111.179 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.698 ' HB2' HG11 ' A' ' 152' ' ' VAL . 51.0 mm-40 -59.34 -45.84 90.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 75.239999999999995 111.029 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 23' ' ' LEU . 3.1 tm? -71.62 -45.85 60.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 75.219999999999999 111.026 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.6 mm -66.91 -76.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 53.210000000000001 111.249 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.1 mt-30 -89.6 -97.2 0.1 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.561 -0.291 . . . . 74.409999999999997 111.055 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 3.4 m-20 . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.827 0.346 . . . . 63.240000000000002 110.846 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.881 0.372 . . . . 71.510000000000005 110.754 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.55 155.38 41.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.420000000000002 110.828 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -155.07 147.34 23.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.140000000000001 110.944 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -100.3 122.63 43.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 71.299999999999997 110.809 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.4 m -134.97 -178.06 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 63.299999999999997 111.197 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -118.05 100.84 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 75.230000000000004 111.117 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.669 HG13 HG11 ' A' ' 160' ' ' VAL . 12.9 mm -83.55 105.77 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.239999999999995 110.983 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.2 t0 59.44 37.77 22.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 70.109999999999999 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.55 -6.35 82.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 31.25 112.841 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.78 114.28 27.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 73.409999999999997 110.983 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.5 m -70.66 121.47 17.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 74.400000000000006 110.983 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.5 m -148.7 149.85 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 70.109999999999999 110.891 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.463 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -78.83 141.96 37.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 64.040000000000006 110.945 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.6 mt -121.98 93.36 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 61.5 110.805 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.12 95.7 10.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 70.129999999999995 110.892 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.698 ' CD1' HD13 ' A' ' 6' ' ' LEU . 13.0 mm -85.44 111.02 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 73.310000000000002 111.024 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.592 HD21 ' CG2' ' A' ' 58' ' ' THR . 2.1 tt -101.89 119.52 38.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.242 -0.436 . . . . 64.409999999999997 110.714 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -117.54 98.31 6.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 44.32 110.754 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.592 ' CG2' HD21 ' A' ' 56' ' ' LEU . 17.7 p -78.98 -173.74 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 62.549999999999997 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 73.0 111.217 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.408 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 15.2 ptp . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.821 0.343 . . . . 54.399999999999999 110.97 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -25.41 44.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 62.32 111.121 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.18 -24.95 34.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 73.219999999999999 111.238 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 74' ' ' THR . 5.0 pt20 -80.77 -39.81 26.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 61.420000000000002 110.999 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 14.5 m-85 -74.17 -53.17 10.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 75.340000000000003 110.981 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.1 mtt -54.94 -46.76 75.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 65.5 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 58.9 mtp180 -62.91 -24.44 67.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 70.409999999999997 111.067 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 70' ' ' GLN . 73.8 p -100.55 -9.9 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 111.418 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.404 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -81.96 132.1 10.9 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.624 -0.798 . . . . 73.200000000000003 112.857 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.04 -21.7 58.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 63.340000000000003 110.859 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.58 -171.7 23.07 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.889 -0.672 . . . . 62.130000000000003 112.418 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.583 ' CE2' HG23 ' A' ' 100' ' ' ILE . 93.6 m-85 -150.26 135.15 17.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 72.5 110.904 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.854 HD12 HD23 ' A' ' 159' ' ' LEU . 0.4 OUTLIER -116.75 115.79 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 74.340000000000003 111.039 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.79 ' HB3' HD12 ' A' ' 93' ' ' ILE . 75.3 m -93.68 119.07 32.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.010000000000005 110.761 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.702 HG22 ' CG2' ' A' ' 114' ' ' VAL . 49.1 t -113.06 130.02 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.462 . . . . 74.239999999999995 111.145 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.587 ' HD1' HD11 ' A' ' 113' ' ' LEU . 7.8 p90 -139.18 151.78 46.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 54.420000000000002 111.014 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.96 124.06 40.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.329999999999998 111.103 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.841 HD12 ' CB ' ' A' ' 123' ' ' ARG . 10.3 pt -59.9 -32.18 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 71.129999999999995 111.092 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' HG13 ' A' ' 84' ' ' ILE . 0.9 OUTLIER -67.11 -19.15 65.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.51 . . . . 74.319999999999993 111.15 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -119.61 103.31 9.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.365 -0.38 . . . . 65.019999999999996 110.866 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.52 HG23 HG22 ' A' ' 125' ' ' VAL . 2.9 m -64.15 -22.87 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 65.510000000000005 111.096 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -64.78 -43.13 94.25 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.859 0.361 . . . . 72.409999999999997 110.655 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.419 ' HB3' HG11 ' A' ' 14' ' ' VAL . 15.2 m -60.74 -39.3 88.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 73.030000000000001 110.74 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 130' ' ' ALA . 26.2 t80 -59.18 -25.25 63.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 72.319999999999993 110.996 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.37 -34.71 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 60.229999999999997 111.04 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.72 -34.89 78.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 73.310000000000002 110.992 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.79 HD12 ' HB3' ' A' ' 80' ' ' CYS . 27.3 mm -59.6 -27.71 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.406 . . . . 73.209999999999994 111.007 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -74.21 -55.33 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.219999999999999 110.806 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -67.39 -29.05 68.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 65.299999999999997 111.063 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.84 -43.42 94.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 73.140000000000001 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -58.15 -40.78 82.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 72.430000000000007 110.863 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.92 -28.22 49.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.439999999999998 111.116 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -76.15 -42.13 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 74.530000000000001 110.892 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.583 HG23 ' CE2' ' A' ' 78' ' ' PHE . 49.3 mt -64.78 -46.31 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 75.120000000000005 110.941 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -57.48 -28.89 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 54.450000000000003 110.924 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -70.75 -58.59 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 71.430000000000007 110.806 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.425 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 39.0 t -57.08 -56.65 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 62.32 111.052 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -63.1 -20.58 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 73.400000000000006 111.029 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 61.58 46.53 7.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 60.109999999999999 110.886 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.18 154.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.120000000000005 111.013 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -81.06 -41.01 23.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 71.340000000000003 110.673 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -70.08 94.95 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 72.310000000000002 110.711 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.517 HG13 ' HD2' ' A' ' 110' ' ' PRO . 61.2 t -131.61 136.14 28.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 74.109999999999999 110.769 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.517 ' HD2' HG13 ' A' ' 109' ' ' VAL . 58.6 Cg_endo -73.01 100.91 1.26 Allowed 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.809 2.339 . . . . 73.420000000000002 112.344 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.579 ' HG3' HG21 ' A' ' 139' ' ' ILE . 10.6 ptp -144.91 170.36 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 71.439999999999998 110.837 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.914 HG23 HD22 ' A' ' 159' ' ' LEU . 42.9 t -143.87 146.76 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 73.420000000000002 111.127 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.587 HD11 ' HD1' ' A' ' 82' ' ' PHE . 9.4 tp -113.79 131.41 56.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 72.349999999999994 110.719 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.702 ' CG2' HG22 ' A' ' 81' ' ' VAL . 5.2 m -123.99 158.9 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 62.149999999999999 111.497 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.23 75.82 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.897 -0.668 . . . . 75.319999999999993 112.257 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -48.97 159.0 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 65.129999999999995 111.24 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.606 ' HG2' HD12 ' A' ' 120' ' ' LEU . 0.6 OUTLIER 64.36 61.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 75.329999999999998 110.882 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 15.1 t -104.05 20.76 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.513 . . . . 64.409999999999997 111.026 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -116.78 -38.72 3.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 75.549999999999997 110.921 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.606 HD12 ' HG2' ' A' ' 117' ' ' LYS . 40.8 mt -54.15 151.57 6.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 71.299999999999997 110.956 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.08 36.96 1.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 64.400000000000006 111.249 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.63 74.52 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 52.119999999999997 111.06 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.841 ' CB ' HD12 ' A' ' 84' ' ' ILE . 6.9 ptp85 -99.53 135.08 41.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 75.439999999999998 110.905 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.8 p -105.37 -27.89 11.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 63.450000000000003 110.791 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.52 HG22 HG23 ' A' ' 87' ' ' THR . 86.7 t -111.13 96.33 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.075 -0.511 . . . . 61.310000000000002 110.759 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -56.07 164.4 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 72.349999999999994 111.044 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 m -60.98 -39.41 89.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 71.510000000000005 110.959 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -58.58 -50.04 75.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 70.219999999999999 110.926 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.05 -41.77 88.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 73.109999999999999 111.0 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . . . -72.31 -42.8 65.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 73.129999999999995 111.059 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -31.82 73.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 110.826 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.19 -35.94 76.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 71.430000000000007 110.686 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.674 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 52.9 tp -78.68 -50.72 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.120000000000005 110.745 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.2 -35.74 72.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 44.439999999999998 110.936 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -69.24 -26.87 65.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 75.030000000000001 110.83 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -37.34 62.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 74.340000000000003 110.522 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.674 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 23.1 m-85 -77.79 -15.08 59.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.914 -0.585 . . . . 73.019999999999996 111.104 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.76 20.35 68.54 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.685 -0.769 . . . . 74.519999999999996 112.427 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.579 HG21 ' HG3' ' A' ' 111' ' ' MET . 7.8 pt -110.17 156.81 39.51 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.828 0.346 . . . . 74.109999999999999 111.645 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.445 ' HG2' HG13 ' A' ' 112' ' ' VAL . 58.2 Cg_endo -72.85 152.01 51.79 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.614 2.209 . . . . 74.409999999999997 112.318 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -122.44 117.29 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 110.745 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.956 HD11 HG21 ' A' ' 158' ' ' THR . 2.2 mp -118.52 151.04 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 60.539999999999999 111.023 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -112.01 117.88 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.397 . . . . 74.219999999999999 111.101 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 151' ' ' GLY . 75.2 p -128.34 163.85 23.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.310000000000002 111.104 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 81.9 p -136.1 117.81 15.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 65.010000000000005 110.846 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.03 -13.94 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 53.25 111.586 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -96.97 -66.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 75.010000000000005 111.204 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -70.51 -21.66 62.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 64.219999999999999 111.405 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 63.48 73.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.905 0.383 . . . . 75.209999999999994 110.755 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -125.86 115.24 19.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 71.230000000000004 110.837 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.529 ' O ' HG22 ' A' ' 144' ' ' THR . . . 65.12 14.82 59.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.677 -0.773 . . . . 70.519999999999996 112.843 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.748 HG13 HD23 ' A' ' 19' ' ' LEU . 36.0 t -50.36 -55.2 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 71.150000000000006 111.203 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.449 ' HA ' HD23 ' A' ' 23' ' ' LEU . 2.9 mt-10 -63.53 -27.44 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.804 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -51.46 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 75.239999999999995 110.889 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.638 ' HB1' HG11 ' A' ' 114' ' ' VAL . . . -59.78 -48.74 80.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 70.150000000000006 111.125 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.518 ' HE1' HD22 ' A' ' 19' ' ' LEU . 7.8 m-85 -57.55 -51.03 71.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.519999999999996 110.864 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.8 m-85 -55.97 -36.06 67.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 72.040000000000006 110.897 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.956 HG21 HD11 ' A' ' 142' ' ' ILE . 7.8 m -58.15 -38.29 76.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 55.340000000000003 110.844 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.914 HD22 HG23 ' A' ' 112' ' ' VAL . 0.2 OUTLIER -60.55 -37.49 81.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 74.430000000000007 110.828 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.669 HG11 HG13 ' A' ' 46' ' ' ILE . 7.6 t -64.6 -40.66 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 72.319999999999993 111.064 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -37.68 75.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 51.140000000000001 110.969 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.95 -51.56 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 74.340000000000003 110.964 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.43 -44.89 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.371 -0.377 . . . . 70.239999999999995 111.338 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -53.78 -40.85 66.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 75.310000000000002 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -29.82 64.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 71.400000000000006 110.955 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.123 -0.942 . . . . 72.519999999999996 110.998 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.847 0.356 . . . . 71.310000000000002 111.145 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.03 145.48 45.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 75.310000000000002 110.853 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -98.65 110.41 23.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.907 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -98.94 114.44 27.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 110.878 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 99.65 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 74.540000000000006 110.765 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.866 HD22 HD12 ' A' ' 159' ' ' LEU . 24.1 mt -93.02 128.08 38.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 74.549999999999997 110.993 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.417 ' HB ' ' CD2' ' A' ' 78' ' ' PHE . 70.4 t -97.38 102.16 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.019999999999996 111.121 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 t -84.55 142.11 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 65.230000000000004 111.078 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.8 m -145.68 163.98 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 63.149999999999999 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.47 163.86 11.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.763 . . . . 64.430000000000007 112.522 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.8 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -63.26 161.35 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 73.340000000000003 111.16 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.28 -18.61 60.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 35.399999999999999 112.807 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.92 41.79 2.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 75.540000000000006 112.603 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 11' ' ' ALA . 33.9 m -111.11 -28.34 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.764 0.316 . . . . 53.340000000000003 111.302 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.0 26.29 22.32 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.693 -0.765 . . . . 72.0 112.427 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' H ' HG23 ' A' ' 14' ' ' VAL . 11.9 pttt -58.6 -47.87 82.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 75.310000000000002 111.003 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 p -66.94 -32.14 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 45.130000000000003 110.89 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.31 86.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 72.230000000000004 111.108 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.532 HD11 ' CG ' ' A' ' 116' ' ' ASN . 2.6 mt -66.6 -32.55 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 74.310000000000002 110.979 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.732 HG23 HG21 ' A' ' 55' ' ' ILE . 89.2 m -61.2 -56.35 21.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 75.430000000000007 110.978 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.17 -31.96 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.283 -0.417 . . . . 64.010000000000005 110.755 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -60.23 -46.92 88.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 71.129999999999995 110.655 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.727 HD13 ' O ' ' A' ' 23' ' ' LEU . 3.0 tm? -76.93 -19.67 57.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 61.240000000000002 111.191 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mm -90.49 -77.32 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.481 -0.327 . . . . 73.409999999999997 111.443 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -87.27 -28.6 22.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.508 -0.314 . . . . 63.240000000000002 111.304 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 50.32 111.202 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.753 0.311 . . . . 61.299999999999997 110.67 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.5 126.9 52.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 72.030000000000001 110.82 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -116.02 149.75 38.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 73.549999999999997 110.996 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -89.89 120.68 31.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 73.150000000000006 110.727 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.3 175.79 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 63.140000000000001 111.196 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.402 HG12 ' CA ' ' A' ' 48' ' ' GLY . 21.9 t -120.86 100.83 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 75.209999999999994 111.094 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.7 HG13 HG11 ' A' ' 160' ' ' VAL . 19.0 mm -81.91 102.41 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 74.219999999999999 111.106 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.3 t0 59.44 35.93 23.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 61.43 110.851 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.402 ' CA ' HG12 ' A' ' 45' ' ' VAL . . . 90.89 -4.1 81.44 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.692 -0.766 . . . . 55.140000000000001 112.838 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -103.34 107.37 18.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.776 0.322 . . . . 43.399999999999999 110.909 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.0 m -60.77 120.38 10.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 75.040000000000006 110.857 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 91.5 m -149.31 147.93 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.030000000000001 111.021 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -83.46 151.7 25.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 52.43 110.698 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.6 mt -122.22 79.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 71.540000000000006 111.0 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.7 94.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 62.140000000000001 110.729 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.732 HG21 HG23 ' A' ' 20' ' ' THR . 11.6 mm -80.58 108.66 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 74.319999999999993 111.267 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.557 ' C ' HD13 ' A' ' 56' ' ' LEU . 3.4 tm? -89.78 100.99 13.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 70.310000000000002 110.738 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.17 105.76 15.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 74.430000000000007 111.009 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.9 p -81.03 -173.79 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 64.340000000000003 110.809 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 74.239999999999995 111.072 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.2 null . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.874 0.369 . . . . 74.540000000000006 110.823 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 -62.64 -30.25 71.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 74.439999999999998 110.869 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -31.2 44.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 74.319999999999993 110.983 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 74' ' ' THR . 2.0 pt20 -65.4 -33.16 75.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 54.119999999999997 110.772 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -69.08 -44.56 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 71.530000000000001 110.782 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.567 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.7 mtt -57.73 -50.31 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 53.329999999999998 110.653 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.4 mtp85 -63.96 -21.58 66.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 54.25 111.052 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 70' ' ' GLN . 77.9 p -104.59 2.55 30.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.43 . . . . 73.519999999999996 111.446 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.22 139.5 14.83 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.562 -0.828 . . . . 74.310000000000002 112.797 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.03 -18.66 31.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.708 0.289 . . . . 73.129999999999995 111.083 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.411 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -153.17 168.14 31.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 72.120000000000005 112.374 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.528 ' O ' HD21 ' A' ' 159' ' ' LEU . 57.9 m-85 -133.69 139.07 46.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.371 . . . . 73.109999999999999 110.949 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.727 HD12 HD23 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -122.55 129.36 51.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 73.549999999999997 110.828 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.86 ' HB3' HD12 ' A' ' 93' ' ' ILE . 6.6 m -106.77 107.4 18.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 74.549999999999997 110.906 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.493 HG11 HD12 ' A' ' 19' ' ' LEU . 67.3 t -99.15 107.32 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 52.299999999999997 111.083 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.439 ' HB3' HD11 ' A' ' 93' ' ' ILE . 0.2 OUTLIER -116.13 149.83 38.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.622 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.47 123.66 39.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 73.209999999999994 111.059 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.758 HD12 ' CB ' ' A' ' 123' ' ' ARG . 2.5 pt -65.23 -23.87 34.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 71.530000000000001 111.179 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.49 ' O ' HG23 ' A' ' 124' ' ' THR . 1.0 OUTLIER -75.92 -13.55 60.26 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.257 -0.429 . . . . 73.129999999999995 111.252 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -124.82 122.11 36.48 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.831 0.348 . . . . 53.229999999999997 110.93 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -70.74 -30.09 66.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 64.319999999999993 110.905 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -59.52 -45.1 92.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 73.439999999999998 110.959 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.506 ' HB3' HG12 ' A' ' 14' ' ' VAL . 16.9 m -57.53 -38.85 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 62.420000000000002 110.911 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 16.4 t80 -63.04 -29.5 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 51.229999999999997 110.817 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.34 -26.95 46.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 72.230000000000004 111.091 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.03 -34.42 71.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 71.010000000000005 110.965 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.86 HD12 ' HB3' ' A' ' 80' ' ' CYS . 24.8 mm -58.74 -28.08 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 72.420000000000002 110.918 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -73.37 -55.33 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 74.439999999999998 110.758 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -68.55 -29.07 67.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.430000000000007 111.127 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -63.88 -47.81 79.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 65.439999999999998 110.975 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.421 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 1.8 ttp180 -62.22 -30.42 71.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 64.430000000000007 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.85 -31.38 72.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.395 . . . . 53.329999999999998 110.936 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -68.76 -34.77 76.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 74.5 111.071 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.9 mt -71.56 -41.57 72.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.200000000000003 111.117 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.538 ' HZ1' HG22 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -55.64 -32.94 63.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 74.510000000000005 110.966 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -71.58 -56.83 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 73.420000000000002 110.746 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.567 HG11 ' HB2' ' A' ' 72' ' ' MET . 25.6 t -59.34 -59.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 71.430000000000007 111.088 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -61.86 -26.5 68.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.420000000000002 110.896 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.7 t0 62.82 44.99 5.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.97 0.414 . . . . 64.340000000000003 110.707 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.46 140.78 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 71.530000000000001 110.804 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -74.12 -41.97 60.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 74.329999999999998 111.106 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -80.55 88.43 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 53.530000000000001 111.003 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.538 HG22 ' HZ1' ' A' ' 101' ' ' LYS . 21.5 m -126.68 152.91 75.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 72.129999999999995 111.18 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.98 108.24 2.27 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.562 2.175 . . . . 63.25 112.379 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.683 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.2 ptp -159.1 166.35 31.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 72.349999999999994 110.944 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.777 HG23 HD22 ' A' ' 159' ' ' LEU . 24.2 t -144.22 150.96 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.0 111.282 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.783 HD22 HG21 ' A' ' 93' ' ' ILE . 6.3 tp -115.48 114.41 24.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 70.209999999999994 110.65 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.737 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 22.0 t -105.91 146.64 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 73.230000000000004 111.269 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.5 82.89 0.31 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.917 -0.659 . . . . 53.119999999999997 112.294 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.532 ' CG ' HD11 ' A' ' 19' ' ' LEU . 20.3 t-20 -57.51 171.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 73.409999999999997 111.095 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.438 ' O ' HD11 ' A' ' 84' ' ' ILE . 10.4 mtmm 62.63 58.59 1.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 75.25 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.1 t -96.46 -21.78 17.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 73.450000000000003 110.943 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.02 -23.93 28.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.262 -0.426 . . . . 74.409999999999997 111.185 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.4 mt -50.06 163.76 0.14 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.444 -0.344 . . . . 74.120000000000005 111.113 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.78 24.51 11.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 53.140000000000001 111.362 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.64 72.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 71.409999999999997 111.221 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.758 ' CB ' HD12 ' A' ' 84' ' ' ILE . 10.6 ptm180 -93.53 134.07 36.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 72.109999999999999 110.852 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 85' ' ' ASN . 15.6 p -97.76 -50.61 4.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 70.129999999999995 110.684 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.0 t -92.62 102.85 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.578 . . . . 64.420000000000002 110.858 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.58 161.39 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 64.310000000000002 111.011 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.7 p -59.14 -37.43 77.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.513 . . . . 44.310000000000002 111.09 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -57.2 -48.27 79.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 73.319999999999993 110.939 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -59.39 -42.84 92.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.039 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.42 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -67.46 -37.15 82.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 70.25 111.215 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -33.62 76.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 73.430000000000007 111.015 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.55 -45.85 88.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 65.519999999999996 111.007 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.679 HD21 ' CZ ' ' A' ' 137' ' ' TYR . 1.1 tm? -68.63 -51.78 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.239999999999995 111.081 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.542 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -58.61 -44.07 89.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 73.120000000000005 111.145 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -58.78 -25.94 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 63.5 111.089 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.9 t -75.19 -30.28 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 71.310000000000002 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.679 ' CZ ' HD21 ' A' ' 133' ' ' LEU . 21.7 m-85 -83.32 -22.25 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 74.219999999999999 111.054 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.1 15.33 62.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.692 -0.765 . . . . 73.120000000000005 112.622 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.683 HG21 ' HG3' ' A' ' 111' ' ' MET . 21.1 pt -107.76 152.84 41.71 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.764 0.316 . . . . 74.519999999999996 111.288 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HG2' HG13 ' A' ' 112' ' ' VAL . 43.7 Cg_endo -68.22 152.88 75.65 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.556 2.171 . . . . 73.439999999999998 112.324 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -127.09 118.61 24.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 71.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.77 HD11 HG21 ' A' ' 158' ' ' THR . 4.9 mp -118.5 150.02 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 71.109999999999999 110.991 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -113.71 130.64 56.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 71.150000000000006 110.789 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 151' ' ' GLY . 34.7 p -142.3 175.06 10.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.91 0.386 . . . . 74.340000000000003 111.313 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.81 119.73 13.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 74.439999999999998 110.817 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.82 -18.92 65.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 43.5 111.488 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -83.73 -57.7 3.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.51 -0.314 . . . . 74.510000000000005 111.313 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 56.8 p -92.77 6.98 45.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 72.310000000000002 111.413 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.406 ' HA ' ' CG2' ' A' ' 152' ' ' VAL . 6.0 ptm180 42.67 45.93 4.2 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.865 0.364 . . . . 75.400000000000006 111.396 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -83.13 122.47 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 73.510000000000005 111.135 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.503 ' O ' HG22 ' A' ' 144' ' ' THR . . . 52.44 23.22 12.74 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.886 -0.673 . . . . 62.039999999999999 113.045 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 149' ' ' ARG . 3.8 t -59.59 -50.29 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-O 120.894 0.378 . . . . 53.420000000000002 110.831 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.401 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 4.1 mp0 -61.29 -31.91 71.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 71.329999999999998 110.851 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -56.22 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 71.200000000000003 110.995 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.737 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -55.25 -43.47 74.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 63.420000000000002 111.23 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.8 -52.58 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 64.129999999999995 110.862 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 153' ' ' GLU . 15.6 m-85 -53.33 -32.51 49.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 74.109999999999999 111.109 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.77 HG21 HD11 ' A' ' 142' ' ' ILE . 7.4 m -58.64 -32.01 68.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 71.549999999999997 110.887 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.866 HD12 HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -69.35 -34.16 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 65.439999999999998 110.9 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.7 HG11 HG13 ' A' ' 46' ' ' ILE . 5.3 t -67.03 -50.36 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 72.349999999999994 111.182 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.84 -38.17 78.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 71.120000000000005 110.927 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.01 -53.03 62.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 62.32 110.888 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.435 HD11 HD12 ' A' ' 159' ' ' LEU . 75.0 mt -60.01 -37.27 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.189 -0.46 . . . . 71.239999999999995 111.387 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -44.76 70.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 74.219999999999999 111.078 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -61.95 -38.75 89.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 63.329999999999998 110.885 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.227 -0.892 . . . . 74.049999999999997 110.915 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.527 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.771 0.319 . . . . 71.540000000000006 111.169 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.52 149.86 49.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 62.140000000000001 110.729 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -107.63 123.66 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 63.43 110.878 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -111.12 106.36 15.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 75.030000000000001 111.044 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -89.36 93.04 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 60.530000000000001 110.846 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.563 HD22 HD12 ' A' ' 159' ' ' LEU . 12.8 mt -84.39 122.26 28.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 73.230000000000004 111.112 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.544 HG23 ' HA3' ' A' ' 75' ' ' GLY . 99.5 t -98.12 102.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 53.329999999999998 110.88 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -79.73 139.28 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 63.329999999999998 111.043 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -137.58 152.13 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 64.219999999999999 111.033 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.412 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 158.57 161.83 11.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 41.229999999999997 112.529 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.817 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -61.18 159.71 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 71.450000000000003 111.04 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.52 -20.41 55.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.695 -0.764 . . . . 41.549999999999997 112.755 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.79 46.63 1.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.673 -0.775 . . . . 74.230000000000004 112.783 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 11' ' ' ALA . 34.9 m -118.46 -6.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.575 0.226 . . . . 54.420000000000002 111.608 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.06 40.67 97.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.627 -0.797 . . . . 35.310000000000002 112.41 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HA ' HD21 ' A' ' 19' ' ' LEU . 3.5 ptpt -71.04 -34.43 71.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.765 0.317 . . . . 74.209999999999994 110.861 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -32.33 64.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 44.25 111.007 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.585 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -62.87 -58.11 8.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 63.149999999999999 111.207 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD21 HG11 ' A' ' 81' ' ' VAL . 3.1 pp -56.31 -32.45 64.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.481 . . . . 74.209999999999994 111.073 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.875 HG23 HG21 ' A' ' 55' ' ' ILE . 93.0 m -70.35 -51.89 26.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 73.030000000000001 110.774 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.2 mm -58.01 -39.65 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 75.109999999999999 111.075 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -59.98 -41.47 92.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.389 . . . . 74.450000000000003 110.972 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 23' ' ' LEU . 2.7 tm? -76.65 -11.07 59.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 73.439999999999998 111.28 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -103.09 -75.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.76 0.314 . . . . 73.049999999999997 111.319 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -90.83 -19.12 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.373 . . . . 62.340000000000003 111.644 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.858 0.361 . . . . 74.0 111.026 179.828 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.747 0.308 . . . . 75.129999999999995 110.669 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.527 ' HB2' HD12 ' A' ' 52' ' ' LEU . 13.9 ptt85 -123.85 133.27 53.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 72.439999999999998 111.008 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -129.6 147.38 51.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 73.5 110.849 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.464 HE21 HG23 ' A' ' 50' ' ' THR . 6.0 tt0 -93.7 120.41 33.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 71.340000000000003 110.881 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 53' ' ' LEU . 27.0 m -129.6 178.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 74.150000000000006 111.187 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.5 t -121.93 100.86 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 62.030000000000001 111.055 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.549 ' CD1' HG21 ' A' ' 160' ' ' VAL . 40.5 mt -123.47 137.75 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.519999999999996 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.07 29.96 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 44.399999999999999 110.848 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.33 28.19 66.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 33.299999999999997 112.487 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -143.66 114.09 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 63.439999999999998 110.861 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.464 HG23 HE21 ' A' ' 43' ' ' GLN . 79.9 m -56.89 129.61 42.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 63.530000000000001 110.843 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.3 m -151.6 146.79 26.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 61.43 111.03 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.527 HD12 ' HB2' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -82.26 142.33 32.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 75.219999999999999 110.506 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.443 HD11 HG21 ' A' ' 44' ' ' VAL . 20.2 mt -110.19 77.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.385 . . . . 42.32 111.172 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.09 102.04 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.200000000000003 110.657 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.875 HG21 HG23 ' A' ' 20' ' ' THR . 16.6 mm -91.35 108.47 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 64.040000000000006 111.259 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.571 ' C ' HD13 ' A' ' 56' ' ' LEU . 3.4 tm? -96.07 101.36 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 75.109999999999999 110.581 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.12 107.03 17.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 75.319999999999993 110.905 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 p -76.88 -173.81 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 62.219999999999999 110.795 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.319999999999993 111.099 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.403 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 2.8 ptp . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.778 0.323 . . . . 73.409999999999997 110.83 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -25.82 65.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 64.439999999999998 111.11 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -82.24 -35.44 28.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 62.509999999999998 111.102 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 74' ' ' THR . 0.0 OUTLIER -66.63 -27.26 67.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.417 -0.356 . . . . 72.439999999999998 111.001 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -69.95 -44.76 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 74.019999999999996 110.875 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.563 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.1 mtt -60.7 -54.9 39.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.087 -0.506 . . . . 72.329999999999998 110.671 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 57.4 mtm180 -56.03 -22.39 27.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 72.420000000000002 111.279 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 70' ' ' GLN . 75.6 p -101.7 -4.42 26.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.366 . . . . 63.130000000000003 111.462 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.544 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -99.1 127.3 9.21 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.591 -0.814 . . . . 75.019999999999996 112.749 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.443 ' HB2' HD13 ' A' ' 163' ' ' ILE . 1.9 mm-40 -68.63 -26.47 65.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 55.32 110.856 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.642 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -148.8 -165.16 11.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.856 -0.688 . . . . 64.209999999999994 112.444 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.559 ' CE2' HG23 ' A' ' 100' ' ' ILE . 91.1 m-85 -151.6 141.32 21.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 74.010000000000005 111.017 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.836 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -122.95 118.77 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.030000000000001 110.766 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.874 ' HB3' HD12 ' A' ' 93' ' ' ILE . 64.6 m -92.68 110.86 22.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 73.099999999999994 111.054 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.49 HG11 HD21 ' A' ' 19' ' ' LEU . 47.6 t -100.31 106.65 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 72.409999999999997 110.929 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.536 ' HD1' HD11 ' A' ' 113' ' ' LEU . 0.5 OUTLIER -121.95 141.18 51.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 75.319999999999993 110.883 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.19 123.75 31.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 74.310000000000002 110.981 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.834 HD12 ' HB3' ' A' ' 123' ' ' ARG . 1.9 pt -66.03 -16.74 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 72.209999999999994 111.491 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.86 -34.47 26.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.812 0.339 . . . . 63.299999999999997 110.874 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -105.83 108.22 19.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 73.409999999999997 110.897 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.731 HG23 HG22 ' A' ' 125' ' ' VAL . 0.8 OUTLIER -58.18 -26.98 63.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 110.94 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -55.92 22.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 110.615 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.523 ' HB3' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -49.13 -39.52 28.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.84 -0.618 . . . . 75.310000000000002 110.879 179.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 17.0 t80 -61.62 -29.29 69.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 70.030000000000001 110.552 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.79 -28.7 55.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 73.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.46 -31.49 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 61.229999999999997 110.869 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 80' ' ' CYS . 25.2 mm -60.44 -27.72 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 72.010000000000005 110.922 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -73.46 -55.34 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 41.130000000000003 110.772 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -65.91 -28.67 69.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 65.200000000000003 111.252 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.412 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.8 m-85 -58.65 -37.96 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 72.25 111.119 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.431 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -65.9 -35.61 81.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 71.340000000000003 110.775 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.89 -28.72 67.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 70.409999999999997 110.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.441 ' HB3' ' HE1' ' A' ' 72' ' ' MET . 0.0 OUTLIER -77.4 -41.52 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 74.409999999999997 110.919 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 78' ' ' PHE . 15.7 mt -66.11 -49.3 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 64.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -55.39 -32.38 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 54.229999999999997 111.072 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -58.86 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 74.200000000000003 110.816 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' A' ' 72' ' ' MET . 43.0 t -59.35 -57.94 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.416 . . . . 75.430000000000007 110.988 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -61.61 -27.02 68.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 71.319999999999993 110.884 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.7 t70 63.02 46.94 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 72.230000000000004 110.739 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.6 148.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 72.230000000000004 110.966 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -77.21 -32.92 56.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 63.130000000000003 110.82 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.01 94.8 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 64.340000000000003 110.861 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.518 HG13 ' HD2' ' A' ' 110' ' ' PRO . 61.1 t -131.93 136.21 27.92 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-N 116.106 -0.497 . . . . 74.109999999999999 110.708 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.518 ' HD2' HG13 ' A' ' 109' ' ' VAL . 62.2 Cg_endo -74.42 101.06 1.38 Allowed 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.794 2.329 . . . . 64.120000000000005 112.253 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.71 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -143.97 168.73 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.329999999999998 110.878 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.513 HG13 ' HG2' ' A' ' 140' ' ' PRO . 27.3 t -143.12 149.32 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 71.099999999999994 111.2 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.536 HD11 ' HD1' ' A' ' 82' ' ' PHE . 10.7 tp -107.48 117.47 34.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 52.530000000000001 110.666 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.688 HG22 ' HB1' ' A' ' 155' ' ' ALA . 4.6 t -97.21 161.09 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 72.109999999999999 111.295 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.462 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -122.18 75.87 0.35 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.837 -0.696 . . . . 73.209999999999994 112.338 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -56.03 158.39 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 70.239999999999995 111.121 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.3 mttt 57.34 69.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 74.219999999999999 110.979 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.6 t -103.18 -13.13 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 71.450000000000003 111.167 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -86.57 -29.27 22.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.764 0.316 . . . . 62.439999999999998 111.021 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 120' ' ' LEU . 22.9 mt -55.03 155.06 4.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 71.099999999999994 110.945 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -110.26 35.18 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 63.439999999999998 111.342 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.01 71.39 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 33.420000000000002 111.28 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.834 ' HB3' HD12 ' A' ' 84' ' ' ILE . 2.0 ptm180 -95.72 137.54 34.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 71.349999999999994 110.869 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.5 p -103.16 -27.69 12.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 74.519999999999996 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.731 HG22 HG23 ' A' ' 87' ' ' THR . 80.7 t -110.61 108.14 24.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 73.340000000000003 110.953 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.4 160.44 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.808 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 p -54.64 -31.56 57.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.010000000000005 111.152 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -60.56 -42.48 96.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 71.219999999999999 110.891 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.425 ' HB2' HG13 ' A' ' 125' ' ' VAL . 3.1 mt-30 -72.63 -39.91 66.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 72.420000000000002 111.103 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -70.96 -29.76 65.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 75.310000000000002 111.202 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.89 -29.82 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.406 . . . . 64.310000000000002 110.965 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -58.32 -40.62 82.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 74.25 110.981 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.13 -50.08 17.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.838 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.24 -44.1 92.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.120000000000005 111.132 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -56.56 -41.68 77.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 74.219999999999999 110.856 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -28.89 63.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 60.119999999999997 110.787 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.445 ' HB3' HG12 ' A' ' 139' ' ' ILE . 4.6 m-30 -79.85 -28.81 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 75.019999999999996 111.02 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.77 16.79 60.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 70.349999999999994 112.57 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.71 HG21 ' HG2' ' A' ' 111' ' ' MET . 4.7 pt -110.11 157.08 38.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 72.530000000000001 111.472 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.513 ' HG2' HG13 ' A' ' 112' ' ' VAL . 57.1 Cg_endo -71.32 154.78 61.12 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.584 2.189 . . . . 72.439999999999998 112.206 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -127.24 118.21 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.430000000000007 110.94 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.901 HD12 ' HA ' ' A' ' 155' ' ' ALA . 0.2 OUTLIER -124.56 160.15 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 61.420000000000002 110.873 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -123.93 138.22 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 72.230000000000004 110.697 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 151' ' ' GLY . 28.9 p -145.08 162.03 37.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 75.140000000000001 111.182 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.4 p -126.04 122.35 35.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 74.219999999999999 110.751 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.585 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -78.57 -21.62 48.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 71.439999999999998 111.516 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -85.06 -38.43 19.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.741 0.305 . . . . 73.519999999999996 111.209 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -102.08 -19.35 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 70.439999999999998 111.508 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 63.82 65.58 0.71 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.926 0.393 . . . . 73.430000000000007 110.666 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -124.58 106.97 10.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 53.119999999999997 111.047 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.446 ' O ' HG22 ' A' ' 144' ' ' THR . . . 85.15 2.63 87.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 74.140000000000001 112.918 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.7 t -52.67 -47.4 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.772 0.32 . . . . 34.210000000000001 111.417 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.56 ' HG3' HD23 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -64.04 -31.4 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 72.25 110.775 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -54.64 -54.57 39.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.066 -0.516 . . . . 60.530000000000001 111.037 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.901 ' HA ' HD12 ' A' ' 142' ' ' ILE . . . -56.26 -50.57 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 51.0 111.18 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.412 ' HZ ' HD12 ' A' ' 19' ' ' LEU . 45.9 m-85 -61.4 -49.77 75.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.140000000000001 110.894 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -59.04 -36.12 74.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 74.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.515 HG21 HD11 ' A' ' 142' ' ' ILE . 86.6 m -59.61 -41.62 90.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 50.420000000000002 110.826 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.836 HD23 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -59.99 -39.87 87.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 73.219999999999999 110.594 179.681 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.549 HG21 ' CD1' ' A' ' 46' ' ' ILE . 19.8 t -59.34 -37.82 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 72.450000000000003 110.978 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -76.36 -38.57 55.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 74.400000000000006 110.878 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.41 -45.26 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 71.230000000000004 110.78 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.443 HD13 ' HB2' ' A' ' 76' ' ' GLU . 89.6 mt -60.53 -57.11 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.131 -0.486 . . . . 75.140000000000001 110.952 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -51.5 -32.7 28.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 62.229999999999997 111.159 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.0 -37.93 89.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 73.5 110.862 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.168 -0.92 . . . . 75.340000000000003 110.877 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.972 0.415 . . . . 75.209999999999994 111.225 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.86 145.01 26.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.804 -0.635 . . . . 61.240000000000002 110.786 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -94.42 130.71 40.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 75.409999999999997 110.692 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -125.3 120.22 30.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.310000000000002 111.122 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -83.16 119.05 24.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.219999999999999 110.621 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.53 ' HB2' HD13 ' A' ' 55' ' ' ILE . 4.0 mm? -110.1 95.32 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.389 -0.369 . . . . 55.229999999999997 110.988 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.1 t -81.28 102.31 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.329999999999998 110.959 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.3 t -82.85 140.92 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 63.310000000000002 111.153 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.432 HG12 HH22 ' A' ' 68' ' ' ARG . 35.9 m -149.82 153.16 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 72.010000000000005 111.026 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.477 ' HA3' HG21 ' A' ' 14' ' ' VAL . . . -174.01 -85.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.561 -0.828 . . . . 64.420000000000002 112.621 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -178.91 -173.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 43.140000000000001 111.073 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.76 45.07 2.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.774 -0.726 . . . . 75.150000000000006 112.551 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.4 41.99 0.02 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.773 -0.727 . . . . 71.230000000000004 112.474 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.477 HG21 ' HA3' ' A' ' 10' ' ' GLY . 6.6 m -117.91 -13.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.02 0.378 . . . . 71.349999999999994 112.02 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.18 25.82 42.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.516 -0.85 . . . . 74.340000000000003 112.283 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -58.61 -45.04 90.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.932 0.396 . . . . 70.340000000000003 110.828 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.9 p -72.16 -34.66 68.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.917 -0.583 . . . . 72.349999999999994 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.552 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -56.45 -61.37 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 73.239999999999995 111.206 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.13 -27.16 52.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 50.149999999999999 111.015 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.897 HG23 HG21 ' A' ' 55' ' ' ILE . 32.1 m -67.91 -48.41 66.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 73.239999999999995 110.889 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.401 HD11 ' CZ ' ' A' ' 40' ' ' TYR . 1.4 mp -70.5 -30.01 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 64.150000000000006 110.652 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -59.2 -37.75 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.540000000000006 110.854 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tp -76.68 -62.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 73.230000000000004 111.164 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.46 -48.36 80.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 72.150000000000006 110.964 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -112.61 -130.05 0.31 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.235 -0.439 . . . . 51.009999999999998 110.077 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 C--N 1.334 -0.093 0 O-C-N 122.063 -0.398 . . . . 71.430000000000007 110.882 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CZ ' HD11 ' A' ' 21' ' ' ILE . 7.1 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.853 0.359 . . . . 73.540000000000006 110.681 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.521 ' HB2' HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -105.59 133.67 49.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 73.25 111.123 -179.788 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -127.95 144.33 51.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 75.209999999999994 110.897 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -96.15 118.59 33.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 70.140000000000001 110.973 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.447 HG21 HD11 ' A' ' 53' ' ' LEU . 32.7 m -131.18 171.88 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 73.219999999999999 111.212 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 45' ' ' VAL . 9.0 p -128.29 102.47 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 60.210000000000001 111.019 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.742 HD13 HG21 ' A' ' 160' ' ' VAL . 3.5 mt -117.64 137.82 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 73.430000000000007 110.808 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.86 30.46 14.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 73.329999999999998 110.721 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.74 33.9 88.5 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.74 -0.743 . . . . 64.109999999999999 112.437 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -146.33 102.26 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 70.319999999999993 111.045 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.3 m -57.57 128.41 36.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 74.310000000000002 111.01 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 58.5 m -149.6 147.37 28.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 51.100000000000001 110.912 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -78.32 149.78 33.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 74.299999999999997 110.851 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.473 HD21 HG22 ' A' ' 160' ' ' VAL . 31.7 mt -123.72 75.43 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 71.420000000000002 110.929 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.33 97.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.400000000000006 110.878 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.897 HG21 HG23 ' A' ' 20' ' ' THR . 21.6 mm -80.76 109.68 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 73.430000000000007 111.102 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -101.91 104.31 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 71.400000000000006 110.738 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -109.29 134.22 52.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.219999999999999 110.756 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.8 p -99.7 -173.74 2.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 74.120000000000005 110.865 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 23.219999999999999 111.187 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mtm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.674 0.273 . . . . 72.349999999999994 111.085 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.432 HH22 HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -58.31 -40.06 81.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.402 -0.363 . . . . 71.239999999999995 110.907 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -74.48 -31.67 62.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 72.420000000000002 110.82 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.559 ' O ' HG23 ' A' ' 74' ' ' THR . 12.6 tt0 -66.05 -38.89 89.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.25 110.869 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -59.54 -39.6 84.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.124 -0.489 . . . . 74.329999999999998 111.056 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.53 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.5 mtt -71.97 -46.47 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 64.219999999999999 110.699 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.411 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 63.6 mtp180 -67.13 -14.33 62.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.932 -0.576 . . . . 65.230000000000004 111.431 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 70' ' ' GLN . 56.1 p -102.84 -23.0 13.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.762 0.315 . . . . 73.5 111.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.416 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -92.56 152.47 21.15 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.676 -0.773 . . . . 63.310000000000002 112.888 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -95.52 -15.55 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.613 0.244 . . . . 74.310000000000002 111.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.46 -175.55 19.54 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.649 -0.786 . . . . 71.450000000000003 112.382 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.529 ' CE1' HG23 ' A' ' 100' ' ' ILE . 73.1 m-85 -152.81 132.34 12.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 74.120000000000005 111.139 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.931 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -113.51 111.48 21.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 72.109999999999999 110.776 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.669 ' HB3' HD12 ' A' ' 93' ' ' ILE . 3.5 m -93.7 124.03 37.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.450000000000003 110.823 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.789 ' O ' HD11 ' A' ' 93' ' ' ILE . 3.2 m -115.8 146.13 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 73.310000000000002 111.11 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.405 ' HB3' HG13 ' A' ' 93' ' ' ILE . 0.2 OUTLIER -147.22 140.42 25.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.094 -0.503 . . . . 62.119999999999997 110.94 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 117' ' ' LYS . . . -89.42 126.64 35.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 62.329999999999998 111.022 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.7 HD12 ' HB2' ' A' ' 123' ' ' ARG . 5.1 pt -62.11 -29.98 47.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 61.32 111.161 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -79.02 -24.51 43.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 35.43 111.101 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -110.61 108.26 18.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.405 -0.361 . . . . 64.219999999999999 110.744 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 m -70.08 -24.21 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.420000000000002 111.083 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -54.22 -41.54 68.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.379 -0.373 . . . . 71.540000000000006 111.051 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 m -58.82 -46.12 88.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 74.540000000000006 110.847 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.548 ' CE1' HD12 ' A' ' 133' ' ' LEU . 36.0 t80 -54.64 -24.28 20.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 62.43 111.144 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -79.79 -45.76 18.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.326 -0.397 . . . . 73.319999999999993 111.143 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.414 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 18.9 m-20 -69.12 -33.61 73.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 70.209999999999994 111.129 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.789 HD11 ' O ' ' A' ' 81' ' ' VAL . 23.8 mm -59.68 -26.12 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 116.416 -0.356 . . . . 73.510000000000005 111.029 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -76.04 -55.26 5.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 74.140000000000001 110.793 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -67.1 -33.95 76.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 75.409999999999997 111.28 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 3.7 m-85 -60.19 -48.98 79.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 63.420000000000002 110.995 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.436 ' HD2' ' CE1' ' A' ' 137' ' ' TYR . 2.7 ttt180 -54.99 -31.6 61.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 72.140000000000001 110.937 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -66.87 -34.95 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 71.329999999999998 110.743 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -38.27 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 72.010000000000005 110.694 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.529 HG23 ' CE1' ' A' ' 78' ' ' PHE . 32.3 mt -64.54 -47.1 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 53.520000000000003 110.837 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -62.21 -27.49 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 54.219999999999999 111.071 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -72.46 -58.94 2.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 70.219999999999999 110.749 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.53 HG11 ' HB2' ' A' ' 72' ' ' MET . 48.1 t -62.55 -51.27 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 74.439999999999998 110.971 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -64.87 -26.24 68.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 75.219999999999999 110.813 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 t0 64.96 40.27 5.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 74.019999999999996 110.773 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t -157.02 146.23 20.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 45.299999999999997 110.78 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -86.03 -26.32 25.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 64.129999999999995 111.112 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -105.9 89.67 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.406 -0.361 . . . . 75.099999999999994 111.068 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.451 HG21 HG21 ' A' ' 100' ' ' ILE . 24.4 m -116.52 152.58 48.38 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 74.239999999999995 111.011 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.93 100.95 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.556 2.171 . . . . 73.430000000000007 112.222 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.711 ' HG3' HG21 ' A' ' 139' ' ' ILE . 12.7 ptp -147.99 166.17 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 73.219999999999999 111.052 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.801 HG23 HD22 ' A' ' 159' ' ' LEU . 59.3 t -143.7 145.22 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 71.109999999999999 111.082 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.2 tp -106.35 103.62 13.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 72.200000000000003 110.704 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.792 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 20.3 t -96.81 147.2 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.916 0.389 . . . . 51.240000000000002 111.241 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.56 96.36 0.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 71.109999999999999 112.437 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -73.29 165.56 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 73.140000000000001 110.84 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.403 ' HD2' ' HB1' ' A' ' 83' ' ' ALA . 19.9 mttt 61.17 60.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 72.25 110.852 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 23.9 t -97.86 -15.58 20.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 74.129999999999995 111.102 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.503 ' CG ' HG21 ' A' ' 148' ' ' THR . 21.1 t70 -93.31 20.59 6.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.59 -0.277 . . . . 74.25 111.212 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 120' ' ' LEU . 15.0 mt -93.62 174.54 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.722 0.296 . . . . 65.030000000000001 110.784 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.79 26.88 9.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 74.209999999999994 111.024 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.55 76.93 1.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 54.219999999999999 111.272 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.7 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -89.4 107.61 19.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 60.409999999999997 110.589 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 33.5 p -83.4 -48.83 9.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 110.837 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.5 t -83.74 102.86 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 71.549999999999997 111.009 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -58.26 159.66 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 65.450000000000003 110.903 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.8 t -56.12 -43.64 78.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 54.020000000000003 111.056 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -55.72 -37.33 68.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 110.958 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -69.94 -36.45 75.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.988 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.51 ' HB1' ' CZ ' ' A' ' 141' ' ' TYR . . . -73.29 -41.81 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 73.329999999999998 111.129 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -29.31 69.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 64.409999999999997 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.41 -44.87 72.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 71.329999999999998 111.042 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.548 HD12 ' CE1' ' A' ' 90' ' ' PHE . 20.8 mt -72.08 -47.65 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 52.200000000000003 111.025 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -59.82 -38.35 81.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 54.310000000000002 111.052 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -76.18 -34.52 59.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.129999999999995 110.844 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.6 t -74.76 -31.42 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 64.329999999999998 110.63 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.436 ' CE1' ' HD2' ' A' ' 97' ' ' ARG . 21.6 m-85 -89.4 -20.43 23.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 63.149999999999999 111.033 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.01 17.63 64.8 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.709 -0.758 . . . . 51.009999999999998 112.541 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.711 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.4 pt -112.38 156.55 42.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.328 . . . . 73.219999999999999 111.487 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.5 ' HG2' HG13 ' A' ' 112' ' ' VAL . 47.2 Cg_endo -69.84 161.99 43.83 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.64 2.227 . . . . 72.5 112.524 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.51 ' CZ ' ' HB1' ' A' ' 130' ' ' ALA . 18.1 t80 -131.4 102.57 6.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 72.209999999999994 110.583 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.807 HD11 HG21 ' A' ' 158' ' ' THR . 4.6 mp -105.34 143.47 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 75.519999999999996 111.2 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -108.7 132.2 54.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.439999999999998 110.844 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 19.9 p -149.82 171.48 16.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 71.439999999999998 111.182 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.18 128.35 25.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.001 -0.545 . . . . 63.109999999999999 110.594 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.552 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -73.0 -14.28 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.140000000000001 111.545 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -83.81 -66.12 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.298 . . . . 72.310000000000002 111.242 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.503 HG21 ' CG ' ' A' ' 119' ' ' ASP . 47.6 p -77.98 -18.71 55.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 61.219999999999999 111.273 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 64.25 60.28 0.97 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.951 0.405 . . . . 60.299999999999997 110.709 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -112.43 115.55 28.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 74.310000000000002 110.952 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 75.23 9.02 84.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.837 -0.697 . . . . 73.299999999999997 112.997 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.83 -54.27 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 120.814 0.34 . . . . 74.0 111.214 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.34 -31.34 70.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.859 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -55.9 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 74.319999999999993 110.961 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.792 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -55.74 -48.16 75.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 45.119999999999997 111.091 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -58.88 -52.99 63.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 63.340000000000003 110.944 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -55.05 -27.48 44.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 73.420000000000002 111.108 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.807 HG21 HD11 ' A' ' 142' ' ' ILE . 3.7 m -57.4 -40.25 77.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.359 -0.382 . . . . 64.049999999999997 110.888 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.931 HD23 HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -63.5 -43.92 95.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 73.400000000000006 110.623 179.777 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.742 HG21 HD13 ' A' ' 46' ' ' ILE . 43.7 t -52.53 -49.53 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.993 -0.549 . . . . 63.420000000000002 111.27 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -34.5 77.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 73.219999999999999 110.645 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -49.48 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 75.409999999999997 110.818 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.452 HD11 HD12 ' A' ' 159' ' ' LEU . 43.9 mt -59.95 -38.95 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.322 -0.399 . . . . 74.430000000000007 111.041 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -51.77 -28.14 14.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 70.209999999999994 110.848 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -118.58 78.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 75.040000000000006 110.9 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.246 -0.883 . . . . 72.349999999999994 110.756 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.567 ' HG3' HD12 ' A' ' 52' ' ' LEU . 1.8 pmm? . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.878 0.37 . . . . 72.340000000000003 111.413 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.412 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 1.0 OUTLIER -95.04 137.51 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 75.120000000000005 110.731 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.682 ' HG3' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -93.23 120.9 34.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.497 . . . . 71.420000000000002 111.001 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.412 ' CZ ' HG21 ' A' ' 2' ' ' THR . 44.4 m-85 -111.42 157.43 20.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 70.209999999999994 110.911 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.86 101.12 7.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 74.150000000000006 110.796 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.793 HD22 HD23 ' A' ' 159' ' ' LEU . 13.9 mt -91.28 112.57 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 74.200000000000003 110.94 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.827 HG13 HD23 ' A' ' 56' ' ' LEU . 61.6 t -94.06 102.13 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 45.039999999999999 111.332 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.88 140.09 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 74.120000000000005 110.843 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.33 -178.67 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 60.130000000000003 111.219 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.78 165.57 13.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.854 -0.688 . . . . 43.149999999999999 112.553 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.686 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -58.16 141.18 51.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.701 0.286 . . . . 75.310000000000002 111.085 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.43 -24.85 11.78 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.889 -0.672 . . . . 74.120000000000005 112.764 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.03 49.65 1.0 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 52.100000000000001 112.493 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 11' ' ' ALA . 32.7 m -116.34 -9.37 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.575 0.226 . . . . 43.43 111.606 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.77 5.36 78.04 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.706 -0.759 . . . . 65.439999999999998 112.767 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.537 ' H ' HG23 ' A' ' 14' ' ' VAL . 3.0 pttt -59.06 -36.26 74.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.879 0.371 . . . . 75.329999999999998 110.774 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -58.83 -38.91 79.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 62.530000000000001 110.637 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.563 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -69.22 -43.96 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 53.130000000000003 111.28 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.618 HD22 HG13 ' A' ' 152' ' ' VAL . 65.9 mt -58.1 -49.55 76.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 65.409999999999997 111.071 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.848 HG23 HG21 ' A' ' 55' ' ' ILE . 89.4 m -58.69 -58.88 6.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 75.439999999999998 110.991 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.06 -28.86 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.349999999999994 111.015 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -73.3 -42.02 62.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.39 -0.368 . . . . 71.450000000000003 110.912 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.876 HD13 ' CD2' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -76.31 -8.8 57.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.409999999999997 111.348 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.7 mm -114.61 -68.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.834 0.35 . . . . 63.530000000000001 111.229 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -84.34 -25.96 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 52.520000000000003 111.249 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.064 0.459 . . . . 65.530000000000001 110.908 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.802 0.334 . . . . 73.150000000000006 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -145.07 112.48 6.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 74.430000000000007 110.935 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -126.06 132.71 51.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 62.109999999999999 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -87.66 136.0 33.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 74.310000000000002 110.923 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.55 HG21 HD11 ' A' ' 53' ' ' LEU . 26.9 m -139.17 176.1 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 71.420000000000002 111.098 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.96 100.84 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 74.120000000000005 111.152 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.6 mm -90.41 103.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 62.32 111.069 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 60.43 34.9 20.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.430000000000007 110.935 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.39 -35.54 4.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 74.140000000000001 112.617 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -80.49 123.31 27.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 60.32 110.859 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.9 m -78.24 127.06 31.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 54.340000000000003 110.911 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 m -142.21 146.24 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 75.349999999999994 110.765 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.682 HD22 ' HG3' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -78.35 149.01 33.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 63.140000000000001 110.828 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.55 HD11 HG21 ' A' ' 44' ' ' VAL . 57.7 mt -125.47 91.81 3.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 54.310000000000002 110.927 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -85.96 97.95 10.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 73.340000000000003 110.847 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.848 HG21 HG23 ' A' ' 20' ' ' THR . 14.1 mm -83.45 110.2 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 72.230000000000004 111.108 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.827 HD23 HG13 ' A' ' 7' ' ' VAL . 18.3 tp -83.61 129.05 34.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 73.430000000000007 110.809 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -106.0 101.26 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 73.109999999999999 110.665 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.7 p -75.43 -176.86 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 71.209999999999994 110.986 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 73.120000000000005 111.175 -179.866 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.786 0.327 . . . . 71.019999999999996 110.842 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -60.67 -29.46 69.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 63.119999999999997 110.925 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -27.96 61.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 73.510000000000005 111.177 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -69.76 -33.09 71.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.323 -0.399 . . . . 74.430000000000007 110.957 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -72.27 -36.08 68.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 73.510000000000005 111.051 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.691 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.9 mtt -58.35 -36.05 72.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.307 -0.406 . . . . 74.120000000000005 110.94 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -75.59 -16.02 60.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 71.129999999999995 111.351 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.5 p -107.0 -18.68 13.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.51 -0.313 . . . . 62.409999999999997 111.313 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.88 144.46 17.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 31.140000000000001 112.604 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.02 -17.29 29.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.658 0.266 . . . . 62.530000000000001 111.165 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.05 -178.84 27.15 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.755 -0.736 . . . . 71.310000000000002 112.395 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.512 ' CE1' HG23 ' A' ' 100' ' ' ILE . 36.1 m-85 -148.63 144.51 27.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.868 0.366 . . . . 72.120000000000005 111.231 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.576 HD12 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -121.81 121.42 37.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 75.530000000000001 110.742 179.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.871 ' HB3' HD12 ' A' ' 93' ' ' ILE . 82.9 m -95.96 112.14 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 60.240000000000002 110.965 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.2 t -99.62 111.0 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 74.040000000000006 111.027 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -116.08 159.56 21.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 71.239999999999995 110.631 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.18 124.27 50.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 61.210000000000001 110.99 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.792 HD12 ' CB ' ' A' ' 123' ' ' ARG . 1.4 pt -65.39 -28.08 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 73.409999999999997 110.916 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -82.64 -8.64 59.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.984 -0.553 . . . . 73.219999999999999 111.113 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -123.66 106.67 10.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.752 0.311 . . . . 75.409999999999997 110.711 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.2 m -64.1 -29.93 71.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 70.120000000000005 111.065 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.18 -47.65 84.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 72.219999999999999 111.068 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.4 p -55.18 -45.43 75.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 75.340000000000003 111.157 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 28.2 t80 -59.33 -37.36 77.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 72.129999999999995 110.933 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.43 -27.72 61.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 72.310000000000002 111.109 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.447 ' HA ' ' NE2' ' A' ' 95' ' ' GLN . 67.3 m-20 -76.35 -45.4 32.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 62.350000000000001 111.144 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.871 HD12 ' HB3' ' A' ' 80' ' ' CYS . 24.0 mm -47.72 -29.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 74.019999999999996 111.005 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -64.2 -54.04 39.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.547 . . . . 63.329999999999998 110.868 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.514 ' HG2' ' N ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -68.33 -29.85 68.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 73.349999999999994 110.958 -179.437 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.514 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 8.6 m-85 -59.54 -29.52 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.946 -0.57 . . . . 73.540000000000006 110.904 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.436 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -73.24 -38.45 66.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.384 . . . . 71.329999999999998 110.38 179.654 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.57 -27.48 49.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 75.340000000000003 110.864 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -76.5 -33.15 58.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 73.420000000000002 110.809 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.522 ' CG2' HG21 ' A' ' 109' ' ' VAL . 54.8 mt -73.02 -49.16 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 61.350000000000001 110.924 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -55.48 -38.62 69.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 73.129999999999995 111.075 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -59.11 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 75.439999999999998 111.024 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.691 HG11 ' HB2' ' A' ' 72' ' ' MET . 41.4 t -61.13 -52.91 56.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 71.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -62.7 -24.66 67.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 72.439999999999998 110.764 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.98 35.8 7.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.42 . . . . 73.540000000000006 110.706 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.1 t -158.83 140.75 13.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 63.140000000000001 110.718 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -74.52 -42.71 58.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 70.310000000000002 111.196 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -90.01 82.94 6.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 72.340000000000003 111.174 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.522 HG21 ' CG2' ' A' ' 100' ' ' ILE . 25.1 m -105.91 152.44 40.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.347 -0.388 . . . . 72.239999999999995 110.881 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.92 109.87 2.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.492 2.128 . . . . 74.310000000000002 112.321 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.789 ' HG3' HG21 ' A' ' 139' ' ' ILE . 14.3 ptp -157.04 171.11 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 62.340000000000003 111.035 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.553 HG13 ' HG2' ' A' ' 140' ' ' PRO . 47.0 t -143.05 150.51 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 62.310000000000002 111.112 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 80' ' ' CYS . 6.9 tp -114.09 112.1 22.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 75.230000000000004 110.725 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.822 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 20.9 t -105.15 142.29 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 75.230000000000004 111.385 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.45 82.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.881 -0.676 . . . . 70.209999999999994 112.364 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -63.71 176.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 74.409999999999997 111.031 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.46 ' CA ' HD23 ' A' ' 120' ' ' LEU . 0.0 OUTLIER 60.61 75.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.200000000000003 110.822 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 2.6 t -105.1 -25.37 12.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 75.109999999999999 111.182 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -99.37 15.66 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.411 -0.359 . . . . 54.340000000000003 111.481 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.46 HD23 ' CA ' ' A' ' 117' ' ' LYS . 3.4 mm? -65.05 -20.52 66.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.741 0.305 . . . . 72.25 111.114 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 59.64 19.42 8.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.37 . . . . 34.100000000000001 111.284 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -150.67 49.13 0.87 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.816 0.341 . . . . 74.420000000000002 111.084 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.792 ' CB ' HD12 ' A' ' 84' ' ' ILE . 6.7 ptp85 -66.41 158.91 28.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 61.420000000000002 111.055 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.0 p -128.34 -47.58 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 51.420000000000002 110.709 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.6 t -90.76 102.33 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 40.350000000000001 111.013 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.08 162.88 1.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.019999999999996 110.933 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.4 m -58.56 -43.39 89.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.545 . . . . 65.120000000000005 111.197 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -55.4 -50.46 69.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.416 . . . . 71.439999999999998 111.086 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -57.41 -41.81 81.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 73.010000000000005 111.014 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -70.83 -29.78 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 53.329999999999998 111.128 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -29.65 61.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.409999999999997 110.958 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.56 -44.33 80.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 72.420000000000002 110.925 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 16.0 tp -71.7 -49.23 41.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 64.439999999999998 110.878 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.62 82.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 72.439999999999998 111.153 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 71.439999999999998 110.869 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.7 t -70.76 -33.32 70.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 70.019999999999996 110.619 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.461 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 4.1 m-30 -74.63 -26.71 60.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 75.420000000000002 110.989 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.82 15.02 62.02 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.807 -0.711 . . . . 62.299999999999997 112.703 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.789 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.4 pt -113.54 156.62 43.16 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.765 0.317 . . . . 74.430000000000007 111.406 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.553 ' HG2' HG13 ' A' ' 112' ' ' VAL . 52.6 Cg_endo -70.05 163.29 39.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.535 2.157 . . . . 73.019999999999996 112.138 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -131.56 104.93 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 72.200000000000003 110.805 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.921 HD11 HG21 ' A' ' 158' ' ' THR . 1.9 mp -108.47 149.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 65.409999999999997 111.047 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -118.51 132.07 56.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 62.32 110.707 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 151' ' ' GLY . 10.0 p -141.23 -178.1 5.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 64.019999999999996 111.017 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.514 ' HG ' ' CB ' ' A' ' 148' ' ' THR . 24.4 p -147.52 123.83 10.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.008 -0.542 . . . . 72.010000000000005 110.657 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.563 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.87 -33.29 68.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.338 -0.392 . . . . 74.120000000000005 111.316 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -78.72 -49.71 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 52.240000000000002 111.147 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.514 ' CB ' ' HG ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -81.48 -23.43 37.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.391 . . . . 72.129999999999995 111.231 -179.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.72 ' HD2' HG21 ' A' ' 152' ' ' VAL . 27.0 mmm-85 61.46 65.77 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.92 0.391 . . . . 74.010000000000005 110.617 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -122.1 124.9 44.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 61.149999999999999 111.035 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 144' ' ' THR . . . 54.08 24.45 28.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.904 -0.665 . . . . 71.209999999999994 112.818 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.72 HG21 ' HD2' ' A' ' 149' ' ' ARG . 21.9 t -58.64 -55.39 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 62.240000000000002 111.056 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.439 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 9.7 mt-10 -64.29 -30.03 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 64.140000000000001 110.947 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -58.86 -33.25 70.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.255 -0.43 . . . . 73.329999999999998 110.923 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.822 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -71.7 -39.26 70.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 62.25 111.218 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.876 ' CD2' HD13 ' A' ' 23' ' ' LEU . 41.7 m-85 -72.83 -49.49 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.530000000000001 111.248 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.8 m-85 -53.65 -30.74 44.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 73.510000000000005 111.202 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.921 HG21 HD11 ' A' ' 142' ' ' ILE . 79.3 m -58.34 -40.94 83.52 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.917 0.389 . . . . 73.430000000000007 110.84 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.793 HD23 HD22 ' A' ' 6' ' ' LEU . 49.0 tp -61.4 -40.58 94.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 54.439999999999998 110.522 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.7 t -51.74 -47.78 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.953 -0.567 . . . . 75.430000000000007 111.134 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -67.98 -28.7 67.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 73.129999999999995 110.765 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -72.77 -52.23 15.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 72.409999999999997 110.824 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 29.2 mt -57.59 -48.32 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.291 -0.413 . . . . 71.230000000000004 111.127 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -57.05 -38.14 72.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 74.209999999999994 110.802 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 75.319999999999993 110.795 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.266 -0.874 . . . . 62.43 110.88 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.691 ' SD ' HG22 ' A' ' 50' ' ' THR . 2.6 tpp . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.918 0.39 . . . . 74.0 111.221 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.473 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -83.87 149.75 26.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 55.009999999999998 110.696 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -104.45 117.71 34.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 72.340000000000003 110.749 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.473 ' CZ ' HG21 ' A' ' 2' ' ' THR . 47.6 m-85 -109.1 108.81 19.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 53.020000000000003 111.135 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.08 91.95 9.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 110.722 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.874 HD12 ' CD1' ' A' ' 55' ' ' ILE . 10.7 mt -88.47 112.23 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 74.430000000000007 111.032 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.428 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 94.8 t -87.8 133.84 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 120.987 0.422 . . . . 51.350000000000001 111.007 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 t -116.65 117.06 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 115.811 -0.631 . . . . 74.409999999999997 111.134 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.594 HG12 HH12 ' A' ' 68' ' ' ARG . 32.8 m -94.11 167.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 72.109999999999999 110.987 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.411 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -120.23 -170.05 14.18 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 73.420000000000002 112.57 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.544 ' HB3' ' OG ' ' A' ' 89' ' ' SER . . . 178.36 37.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 72.140000000000001 111.345 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.73 135.3 0.01 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.837 -0.697 . . . . 73.010000000000005 112.867 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.23 22.95 63.67 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.854 -0.689 . . . . 44.310000000000002 112.911 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.692 HG23 ' NZ ' ' A' ' 16' ' ' LYS . 13.1 m -123.15 102.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 71.109999999999999 111.249 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.74 60.29 2.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.848 -0.691 . . . . 74.310000000000002 112.536 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.692 ' NZ ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -64.33 -19.05 65.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 72.129999999999995 110.941 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -80.01 -35.72 36.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.909 0.385 . . . . 55.240000000000002 110.817 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.584 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -56.49 -54.91 40.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.939 -0.573 . . . . 75.25 111.085 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 pp -59.63 -26.58 65.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 65.5 111.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 m -65.43 -52.39 53.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 73.140000000000001 111.199 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.505 HD11 ' CZ ' ' A' ' 40' ' ' TYR . 1.2 mp -60.86 -28.55 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.219999999999999 111.1 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -55.31 -40.81 71.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 62.43 110.873 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 tp -76.71 -39.62 51.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 74.219999999999999 110.921 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.468 HD13 ' HG2' ' A' ' 42' ' ' LYS . 24.2 mm -61.78 -55.04 26.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.349 -0.387 . . . . 53.299999999999997 111.196 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -125.84 -98.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 64.310000000000002 110.766 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.5 p30 . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.874 0.368 . . . . 44.100000000000001 110.932 179.851 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 21' ' ' ILE . 7.4 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.768 0.318 . . . . 70.019999999999996 110.601 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 ptt85 -143.42 139.54 29.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 74.219999999999999 110.788 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.468 ' HG2' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -133.29 138.77 46.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 75.099999999999994 110.832 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -100.72 114.73 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 74.519999999999996 110.96 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.6 m -132.4 -174.65 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.862 -0.608 . . . . 72.140000000000001 110.708 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 45' ' ' VAL . 6.2 p -127.85 109.03 19.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 70.140000000000001 111.15 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.916 HG13 HG11 ' A' ' 160' ' ' VAL . 4.2 mm -97.62 115.37 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.887 -0.597 . . . . 64.230000000000004 111.002 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t70 65.22 42.18 4.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 75.409999999999997 111.052 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.66 21.7 69.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 55.100000000000001 112.769 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -127.8 97.14 4.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.832 0.349 . . . . 73.409999999999997 110.751 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.691 HG22 ' SD ' ' A' ' 1' ' ' MET . 68.5 m -52.11 132.64 33.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.540000000000006 111.006 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 62.3 m -154.42 157.1 37.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 74.239999999999995 110.826 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.82 140.14 29.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 75.310000000000002 110.839 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.2 mt -122.43 90.95 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 73.230000000000004 110.943 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.24 91.38 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 71.099999999999994 110.806 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.874 ' CD1' HD12 ' A' ' 6' ' ' LEU . 10.0 mm -78.88 114.59 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 75.530000000000001 110.975 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.626 HD21 ' CG2' ' A' ' 58' ' ' THR . 0.4 OUTLIER -98.52 123.35 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 74.299999999999997 110.765 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -118.07 92.62 3.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 73.5 110.832 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.626 ' CG2' HD21 ' A' ' 56' ' ' LEU . 16.4 p -75.44 -175.97 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 74.049999999999997 110.842 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 71.120000000000005 111.243 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.808 0.337 . . . . 62.219999999999999 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.594 HH12 HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -59.0 -39.57 82.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 75.319999999999993 110.805 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.96 -23.61 62.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 65.430000000000007 110.661 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -78.46 -48.01 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 75.329999999999998 110.813 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -72.95 -48.86 33.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 72.310000000000002 110.915 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.9 mtt -56.64 -33.1 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 75.030000000000001 110.841 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.43 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 72.3 mtp180 -81.12 -21.57 39.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 75.230000000000004 111.018 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.3 p -103.6 12.8 34.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 53.229999999999997 111.131 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.09 134.14 12.05 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.468 -0.872 . . . . 74.409999999999997 112.728 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -80.9 -17.06 51.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.654 0.264 . . . . 53.329999999999998 111.127 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.46 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -160.55 167.74 35.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 73.010000000000005 112.435 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.547 ' CE2' HG23 ' A' ' 100' ' ' ILE . 99.0 m-85 -132.14 138.04 47.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 73.340000000000003 111.079 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.067 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -116.25 123.31 47.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 70.310000000000002 110.679 179.728 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.833 ' HB3' HD12 ' A' ' 93' ' ' ILE . 88.1 m -96.22 105.73 17.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 71.349999999999994 110.97 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.5 t -102.04 111.39 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 72.329999999999998 111.072 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.586 ' CD1' HD11 ' A' ' 113' ' ' LEU . 8.5 p90 -124.14 144.59 49.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.030000000000001 110.791 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.13 123.69 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 71.219999999999999 110.979 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.679 HD12 ' HB2' ' A' ' 123' ' ' ARG . 4.3 pt -61.71 -26.02 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 111.303 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -76.46 -28.82 56.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 60.299999999999997 111.098 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -108.38 111.11 22.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 75.109999999999999 110.909 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.9 m -72.23 -24.29 61.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.182 -0.463 . . . . 61.399999999999999 111.062 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -59.25 -37.41 77.51 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.896 0.379 . . . . 75.519999999999996 110.589 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.544 ' OG ' ' HB3' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -70.76 -33.48 70.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 71.019999999999996 110.515 179.648 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.66 -31.6 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 74.040000000000006 110.638 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.12 -31.66 55.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 41.520000000000003 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 95' ' ' GLN . 0.5 OUTLIER -68.86 -31.8 71.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 64.319999999999993 110.89 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.833 HD12 ' HB3' ' A' ' 80' ' ' CYS . 26.8 mm -59.43 -30.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 72.319999999999993 110.695 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -72.49 -55.42 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.140000000000001 111.088 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 0.1 OUTLIER -67.31 -28.81 68.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 53.219999999999999 111.027 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.411 ' CE2' ' O ' ' A' ' 10' ' ' GLY . 5.3 m-85 -69.84 -48.23 59.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 70.299999999999997 110.627 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.46 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -54.53 -31.71 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 73.019999999999996 111.006 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.81 -38.72 92.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 55.140000000000001 111.069 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.32 -41.87 90.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 73.450000000000003 111.016 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.687 HG21 HG21 ' A' ' 109' ' ' VAL . 25.8 mt -58.85 -46.75 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 72.040000000000006 110.95 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -55.91 -31.4 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 72.120000000000005 111.071 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.31 -58.94 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 74.329999999999998 110.765 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.43 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 44.4 t -59.58 -58.64 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 54.140000000000001 110.937 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -59.27 -24.81 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 73.319999999999993 110.897 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 64.69 42.5 4.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 74.329999999999998 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.5 p -161.98 159.24 26.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 70.450000000000003 110.753 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -93.0 -24.11 18.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 72.209999999999994 111.159 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -108.89 85.66 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 63.140000000000001 111.064 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.687 HG21 HG21 ' A' ' 100' ' ' ILE . 14.5 m -108.5 151.2 41.48 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 71.150000000000006 110.943 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -68.52 101.12 0.72 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.521 2.147 . . . . 74.450000000000003 111.998 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.769 ' HG3' HG21 ' A' ' 139' ' ' ILE . 8.7 ptp -150.15 166.52 29.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 73.519999999999996 111.262 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.817 HG23 HD22 ' A' ' 159' ' ' LEU . 49.6 t -141.84 147.43 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.881 -0.599 . . . . 73.140000000000001 110.956 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.586 HD11 ' CD1' ' A' ' 82' ' ' PHE . 6.7 tp -106.44 101.51 10.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 71.340000000000003 110.927 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.737 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 20.4 t -99.4 143.5 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 70.420000000000002 111.113 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -118.46 95.44 0.63 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 65.310000000000002 112.477 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -69.06 174.82 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 72.439999999999998 110.833 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.516 ' HB3' HD12 ' A' ' 120' ' ' LEU . 3.8 mttt 60.22 61.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 75.409999999999997 110.876 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.6 t -97.18 -27.45 14.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 63.409999999999997 110.941 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -74.39 -26.06 59.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 50.130000000000003 111.171 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 117' ' ' LYS . 10.7 mt -52.01 145.19 10.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.37 -0.377 . . . . 71.150000000000006 111.053 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.86 29.32 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 64.239999999999995 111.196 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.43 74.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 64.230000000000004 111.026 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.679 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.4 OUTLIER -92.84 114.12 26.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.538 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.4 p -86.36 -50.67 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 55.020000000000003 110.798 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.69 96.74 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 71.420000000000002 110.876 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -55.17 156.11 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 62.310000000000002 110.968 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.7 t -54.58 -24.39 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 61.439999999999998 111.221 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -59.85 -52.41 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.395 . . . . 73.120000000000005 110.948 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -59.61 -40.36 87.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.420000000000002 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.09 66.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 51.409999999999997 111.183 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.86 -44.35 32.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 71.329999999999998 110.969 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -59.09 -33.73 71.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 71.129999999999995 110.935 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.5 HD11 ' OH ' ' A' ' 137' ' ' TYR . 20.2 tp -81.21 -51.45 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 71.230000000000004 110.796 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.414 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -58.56 -46.45 86.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.422 . . . . 44.219999999999999 111.167 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -59.09 -28.43 66.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 74.219999999999999 111.001 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.3 m -74.29 -40.74 62.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 42.329999999999998 110.766 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.5 ' OH ' HD11 ' A' ' 133' ' ' LEU . 18.9 m-85 -70.29 -21.58 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 71.209999999999994 111.073 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.66 17.34 64.03 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.667 -0.778 . . . . 62.439999999999998 112.477 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.769 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.1 pt -110.46 156.77 39.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.714 0.292 . . . . 50.520000000000003 111.322 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.454 ' HG2' HG13 ' A' ' 112' ' ' VAL . 54.7 Cg_endo -69.88 149.47 66.17 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.592 2.194 . . . . 73.400000000000006 112.484 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -120.58 117.68 28.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.644 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 1.002 HD11 HG21 ' A' ' 158' ' ' THR . 3.2 mp -124.2 147.81 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.430000000000007 111.089 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -116.82 135.84 53.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 70.329999999999998 110.813 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 151' ' ' GLY . 27.3 p -146.23 179.88 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 64.340000000000003 111.084 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.2 118.13 8.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.025 -0.534 . . . . 75.140000000000001 110.73 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.584 ' HB1' ' CB ' ' A' ' 18' ' ' ALA . . . -65.8 -27.2 68.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 74.299999999999997 111.353 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -75.87 -65.86 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.429 -0.35 . . . . 64.420000000000002 111.162 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 p -73.84 -20.61 60.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 111.409 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 63.7 66.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.938 0.399 . . . . 72.219999999999999 110.716 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.52 125.02 48.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 75.010000000000005 111.031 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.437 ' O ' HG22 ' A' ' 144' ' ' THR . . . 59.07 18.18 40.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.824 -0.703 . . . . 40.310000000000002 112.938 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.5 t -54.8 -55.31 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.912 0.386 . . . . 64.439999999999998 111.105 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -61.08 -35.62 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 72.450000000000003 110.711 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.06 -54.1 17.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 73.219999999999999 111.06 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.737 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -63.7 -33.15 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 75.219999999999999 110.968 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.03 -55.58 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 73.329999999999998 110.835 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -57.15 -29.52 63.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 74.420000000000002 111.006 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 1.002 HG21 HD11 ' A' ' 142' ' ' ILE . 69.9 m -58.95 -45.97 89.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 63.130000000000003 110.856 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 1.067 HD23 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -53.76 -43.33 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 64.150000000000006 111.057 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.916 HG11 HG13 ' A' ' 46' ' ' ILE . 11.4 t -56.39 -51.79 59.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 54.240000000000002 111.205 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -57.05 -31.72 65.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 62.43 111.124 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.63 -39.87 76.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 70.209999999999994 110.828 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 44.5 mt -69.07 -41.28 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 50.32 111.255 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -54.59 23.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.451 . . . . 51.030000000000001 111.145 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -67.12 -30.19 70.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 75.25 110.963 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.081 -0.961 . . . . 72.209999999999994 110.741 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.694 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.986 0.422 . . . . 73.310000000000002 111.353 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.5 147.64 26.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.793 -0.64 . . . . 54.450000000000003 110.784 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.53 124.58 48.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 64.450000000000003 110.744 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -115.58 121.28 42.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 74.439999999999998 111.024 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -90.06 93.75 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 63.109999999999999 110.728 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 159' ' ' LEU . 3.9 mm? -81.55 95.29 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 61.020000000000003 111.062 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.445 HG21 ' HA3' ' A' ' 75' ' ' GLY . 33.7 t -82.53 102.17 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 73.430000000000007 111.058 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.27 138.66 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 72.25 111.179 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -124.93 169.5 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.023 -0.535 . . . . 60.109999999999999 110.901 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.75 156.46 27.99 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.565 -0.826 . . . . 42.119999999999997 112.7 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 92' ' ' ASP . . . -95.77 20.37 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.725 0.298 . . . . 72.310000000000002 111.222 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.51 39.26 22.47 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.686 -0.769 . . . . 51.140000000000001 112.891 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.34 43.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.484 -0.865 . . . . 43.509999999999998 113.074 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.482 HG12 ' OG ' ' A' ' 89' ' ' SER . 34.8 m -111.73 -28.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 61.149999999999999 111.269 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.69 21.75 10.97 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.777 -0.725 . . . . 74.109999999999999 112.741 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -29.81 68.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 73.340000000000003 111.098 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 p -77.87 -34.03 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 64.349999999999994 111.106 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.666 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -68.29 -28.43 67.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 74.409999999999997 111.359 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.561 ' CD2' HG12 ' A' ' 152' ' ' VAL . 54.1 mt -75.09 -40.53 59.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 71.450000000000003 110.979 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.842 HG23 HG21 ' A' ' 55' ' ' ILE . 96.2 m -57.77 -57.58 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 73.140000000000001 110.874 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.1 mt -59.96 -39.4 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.828 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.83 -35.88 75.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.158 -0.474 . . . . 74.200000000000003 110.69 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.757 HD13 ' O ' ' A' ' 23' ' ' LEU . 3.4 tm? -71.19 -25.6 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 64.0 110.942 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.562 HG22 ' N ' ' A' ' 25' ' ' GLN . 2.3 mp -106.83 -79.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 70.209999999999994 111.02 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.562 ' N ' HG22 ' A' ' 24' ' ' ILE . 35.4 mt-30 -60.94 -34.81 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 64.329999999999998 111.344 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 74.409999999999997 110.851 -179.859 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.428 ' HB2' HD13 ' A' ' 24' ' ' ILE . 4.2 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.805 0.336 . . . . 73.450000000000003 110.874 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -117.16 114.67 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 73.409999999999997 110.928 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.454 ' HD2' HD13 ' A' ' 23' ' ' LEU . 28.2 tttt -110.26 146.75 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 73.340000000000003 110.949 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -100.77 121.94 42.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 73.329999999999998 110.737 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.519 HG21 ' HE1' ' A' ' 157' ' ' TYR . 28.3 m -137.1 -177.19 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 52.43 111.126 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.3 t -121.91 100.91 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 62.530000000000001 111.009 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.648 HG13 HG11 ' A' ' 160' ' ' VAL . 9.1 mm -84.63 100.72 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.430000000000007 110.992 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 63.31 57.55 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 74.349999999999994 110.873 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.86 27.28 61.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 75.329999999999998 112.582 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -134.16 104.7 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 65.540000000000006 110.901 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -58.99 122.32 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 55.009999999999998 110.961 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.2 m -148.5 145.46 27.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 53.140000000000001 110.883 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.694 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -78.59 150.93 32.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.837 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 53' ' ' LEU . 18.0 mt -127.31 73.64 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.752 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.0 99.43 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 75.340000000000003 110.925 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.842 HG21 HG23 ' A' ' 20' ' ' THR . 17.8 mm -79.51 108.31 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 73.310000000000002 110.975 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.563 ' C ' HD13 ' A' ' 56' ' ' LEU . 3.2 tm? -89.32 102.45 15.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 62.32 110.925 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -104.56 107.96 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 71.109999999999999 110.848 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.545 ' CG2' HD11 ' A' ' 56' ' ' LEU . 17.2 p -89.23 -175.98 4.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 71.049999999999997 110.979 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 72.319999999999993 111.033 179.879 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.409 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 9.5 mmt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.78 0.324 . . . . 75.209999999999994 110.887 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -34.32 70.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.099999999999994 110.97 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.14 -34.1 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 110.522 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 74' ' ' THR . 8.9 tp60 -64.64 -43.74 92.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 62.020000000000003 110.738 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.409 ' CD2' ' O ' ' A' ' 67' ' ' MET . 14.8 m-85 -72.38 -44.2 62.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 71.549999999999997 111.027 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.428 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.4 mmt -59.17 -50.0 75.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.031 0.443 . . . . 75.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.449 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 52.2 mtp180 -61.42 -35.05 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.857 -0.61 . . . . 73.540000000000006 111.163 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 70' ' ' GLN . 75.7 p -85.92 -16.2 39.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 62.210000000000001 111.402 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.445 ' HA3' HG21 ' A' ' 7' ' ' VAL . . . -80.96 137.04 17.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.622 -0.799 . . . . 63.420000000000002 112.779 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -89.72 -12.47 39.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.602 0.239 . . . . 63.240000000000002 110.93 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.83 178.35 35.06 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.878 -0.677 . . . . 72.200000000000003 112.237 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.769 ' O ' HD21 ' A' ' 159' ' ' LEU . 15.9 m-85 -148.67 148.34 29.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.309 . . . . 73.099999999999994 111.068 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.63 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -119.38 113.72 21.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.219999999999999 110.869 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.497 ' HB3' HG23 ' A' ' 93' ' ' ILE . 86.6 m -90.01 106.76 18.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.312 -0.404 . . . . 72.409999999999997 111.041 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.628 ' HA ' HG23 ' A' ' 114' ' ' VAL . 48.0 t -102.02 120.48 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 64.239999999999995 111.059 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.436 ' CB ' HG13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -122.52 144.1 49.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 75.340000000000003 110.922 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.39 124.56 38.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.406 . . . . 72.239999999999995 111.176 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.672 HD12 ' CB ' ' A' ' 123' ' ' ARG . 5.6 pt -64.87 -28.82 45.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 72.230000000000004 110.91 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.92 9.72 21.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.863 -0.608 . . . . 71.140000000000001 111.357 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -138.26 94.18 2.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.831 0.348 . . . . 74.349999999999994 110.898 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -59.27 -24.58 63.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 72.200000000000003 111.089 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -44.83 72.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.346 -0.388 . . . . 73.040000000000006 110.746 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.482 ' OG ' HG12 ' A' ' 14' ' ' VAL . 5.1 t -56.97 -43.8 81.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.984 0.421 . . . . 61.409999999999997 110.693 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.445 ' CE1' HD22 ' A' ' 133' ' ' LEU . 10.2 t80 -59.56 -25.3 64.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 74.340000000000003 110.841 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -77.71 -35.23 52.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 64.109999999999999 110.991 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.453 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 22.2 m-20 -75.23 -34.06 61.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 73.430000000000007 111.072 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.716 HG21 HD21 ' A' ' 113' ' ' LEU . 20.9 mm -59.77 -29.39 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.281 -0.418 . . . . 70.329999999999998 110.945 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -73.95 -55.45 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 74.310000000000002 110.872 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.66 -28.52 68.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.150000000000006 111.212 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.2 m-85 -58.12 -35.19 71.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 73.299999999999997 111.011 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -61.03 -39.35 89.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 70.109999999999999 110.822 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -57.38 -30.04 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 70.129999999999995 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -37.1 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 61.310000000000002 110.802 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.703 HG21 HG11 ' A' ' 109' ' ' VAL . 55.4 mt -70.06 -50.6 46.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 62.130000000000003 111.138 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -50.73 -40.23 53.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 71.319999999999993 110.955 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -62.74 -59.08 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.310000000000002 111.14 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 61.2 t -57.64 -63.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 62.439999999999998 110.982 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -59.58 -24.07 63.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 63.420000000000002 110.727 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.1 t0 60.55 43.25 13.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 74.140000000000001 110.693 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 m -148.33 145.87 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 64.129999999999995 111.01 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -83.76 -28.34 28.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 74.219999999999999 111.039 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -103.54 78.42 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 73.239999999999995 111.115 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.703 HG11 HG21 ' A' ' 100' ' ' ILE . 41.4 t -90.75 136.04 28.32 Favored Pre-proline 0 N--CA 1.446 -0.649 0 CA-C-O 121.066 0.46 . . . . 73.219999999999999 111.024 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.481 ' HD2' HG13 ' A' ' 109' ' ' VAL . 60.4 Cg_endo -74.66 101.04 1.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 123.071 2.514 . . . . 70.420000000000002 112.232 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.27 175.91 10.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 73.209999999999994 111.021 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.828 HG23 HD22 ' A' ' 159' ' ' LEU . 24.0 t -141.62 152.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 75.319999999999993 111.376 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.77 HD13 ' N ' ' A' ' 114' ' ' VAL . 0.8 OUTLIER -109.06 132.89 53.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 74.439999999999998 110.713 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.876 HG11 ' HB1' ' A' ' 155' ' ' ALA . 5.0 m -133.26 157.57 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.41 . . . . 73.409999999999997 111.342 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.14 78.28 0.28 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 73.319999999999993 112.491 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.45 165.65 0.23 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.791 0.329 . . . . 72.519999999999996 111.053 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm 60.35 59.63 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 55.509999999999998 110.872 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.6 t -99.05 7.27 46.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 64.420000000000002 111.388 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -108.84 -23.42 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.735 0.302 . . . . 73.510000000000005 111.022 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.7 mt -52.1 171.17 0.05 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 73.140000000000001 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.49 25.59 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.392 -0.367 . . . . 71.340000000000003 111.42 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.86 59.32 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.36 . . . . 64.310000000000002 111.154 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.672 ' CB ' HD12 ' A' ' 84' ' ' ILE . 4.3 ptt180 -80.99 154.89 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 74.549999999999997 110.944 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.7 p -118.05 -50.38 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 33.520000000000003 110.662 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.7 t -87.76 103.87 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 73.329999999999998 110.894 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.03 157.45 1.76 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 62.229999999999997 111.127 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -49.36 76.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 71.030000000000001 111.287 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -34.94 60.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 75.439999999999998 111.115 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -65.3 -34.58 78.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 62.399999999999999 110.668 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 141' ' ' TYR . . . -78.15 -33.41 50.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.043 -0.526 . . . . 74.25 111.163 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -31.99 72.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 71.129999999999995 110.942 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -61.01 -36.85 80.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 75.439999999999998 110.865 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.445 HD22 ' CE1' ' A' ' 90' ' ' PHE . 21.5 tp -73.17 -51.48 17.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 63.140000000000001 110.882 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.22 99.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 74.310000000000002 111.096 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -60.83 -30.62 70.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 110.863 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.1 t -74.13 -32.4 63.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.661 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.406 ' HB2' HG12 ' A' ' 139' ' ' ILE . 20.5 m-85 -81.17 -15.67 55.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 74.420000000000002 111.264 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.37 15.46 64.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.614 -0.803 . . . . 73.439999999999998 112.586 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 137' ' ' TYR . 19.2 pt -110.73 155.12 42.79 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.669 0.271 . . . . 60.310000000000002 111.312 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.602 ' HG2' HG13 ' A' ' 112' ' ' VAL . 55.2 Cg_endo -70.11 161.19 46.89 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.576 2.184 . . . . 71.329999999999998 112.388 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.574 ' CD1' HD12 ' A' ' 113' ' ' LEU . 89.1 t80 -124.04 115.99 22.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.219999999999999 110.898 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.827 HD11 HG21 ' A' ' 158' ' ' THR . 2.3 mp -114.66 160.33 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 73.230000000000004 111.089 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.468 ' N ' HG22 ' A' ' 142' ' ' ILE . 10.5 mt-10 -124.08 119.77 30.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.422 . . . . 64.140000000000001 110.917 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 151' ' ' GLY . 70.4 p -134.93 170.81 15.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 75.519999999999996 111.127 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.6 p -139.81 115.2 9.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 50.0 110.772 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.666 ' HB1' ' CB ' ' A' ' 18' ' ' ALA . . . -66.51 -23.11 66.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 64.239999999999995 111.323 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -83.42 -65.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.452 -0.34 . . . . 62.340000000000003 111.136 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 p -71.24 -21.73 62.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 62.240000000000002 111.354 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.25 68.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.861 0.363 . . . . 72.540000000000006 110.646 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.08 119.4 33.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 60.439999999999998 110.981 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.547 ' O ' HG22 ' A' ' 144' ' ' THR . . . 58.26 19.21 38.61 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.826 -0.702 . . . . 55.240000000000002 112.91 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 19' ' ' LEU . 22.5 m -55.67 -36.0 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.747 0.308 . . . . 61.030000000000001 111.205 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.497 ' HG3' HD23 ' A' ' 23' ' ' LEU . 4.3 mp0 -74.45 -34.26 63.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 73.299999999999997 110.89 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -40.23 76.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 71.099999999999994 110.792 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.876 ' HB1' HG11 ' A' ' 114' ' ' VAL . . . -69.52 -41.63 75.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 61.310000000000002 111.155 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -66.08 -48.32 71.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 75.239999999999995 111.145 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.519 ' HE1' HG21 ' A' ' 44' ' ' VAL . 18.8 m-85 -57.58 -37.03 72.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.367 -0.379 . . . . 75.430000000000007 111.107 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.827 HG21 HD11 ' A' ' 142' ' ' ILE . 25.6 m -55.75 -34.72 65.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.295 -0.411 . . . . 70.409999999999997 111.087 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.828 HD22 HG23 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -62.85 -38.53 91.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 65.0 110.801 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.648 HG11 HG13 ' A' ' 46' ' ' ILE . 5.0 t -63.23 -39.92 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 63.119999999999997 111.065 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -68.82 -33.31 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.349999999999994 110.951 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.43 -50.79 34.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.030000000000001 111.009 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.709 HD11 HD12 ' A' ' 159' ' ' LEU . 71.9 mt -59.64 -42.39 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.367 -0.379 . . . . 74.319999999999993 111.204 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -60.92 -33.91 73.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 75.409999999999997 110.964 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -72.04 -38.03 69.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 71.329999999999998 110.869 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 75.239999999999995 110.863 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.62 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.794 0.331 . . . . 74.409999999999997 111.265 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.94 149.91 21.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 64.409999999999997 110.744 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -103.83 114.89 29.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 63.329999999999998 110.81 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -105.67 140.16 39.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 54.119999999999997 111.085 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 5.2 mmtt -115.64 92.36 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.409999999999997 110.785 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.689 HD12 ' CD1' ' A' ' 55' ' ' ILE . 10.4 mt -83.97 124.72 31.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 63.439999999999998 111.223 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.25 107.61 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 73.150000000000006 110.97 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.2 t -80.93 143.08 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 71.129999999999995 111.244 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.499 HG23 ' HA ' ' A' ' 80' ' ' CYS . 29.7 m -146.42 136.9 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.010000000000005 111.049 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.23 144.37 8.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 54.409999999999997 112.526 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.58 ' HB2' ' OD2' ' A' ' 92' ' ' ASP . . . -66.27 98.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.325 . . . . 61.520000000000003 111.051 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.66 -117.95 12.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 44.340000000000003 112.474 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.47 -84.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 34.43 112.396 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.481 HG11 ' OG ' ' A' ' 89' ' ' SER . 12.9 m 40.97 31.49 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.778 0.323 . . . . 45.539999999999999 111.765 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.41 34.32 33.9 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.808 -0.71 . . . . 44.340000000000003 112.765 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -75.56 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 75.140000000000001 110.988 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -30.14 71.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 54.450000000000003 110.943 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.593 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -69.24 -43.14 74.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 72.209999999999994 111.269 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mt -54.22 -50.54 66.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 74.310000000000002 111.203 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.643 HG23 ' CG2' ' A' ' 55' ' ' ILE . 95.7 m -58.94 -54.0 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 111.027 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.455 HG23 ' HB2' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -59.16 -41.1 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 71.239999999999995 111.087 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' CG ' HG11 ' A' ' 152' ' ' VAL . 4.3 tp-100 -56.67 -35.64 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 64.420000000000002 110.95 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.688 HD23 HG13 ' A' ' 55' ' ' ILE . 35.1 tp -76.71 -24.87 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 54.119999999999997 111.443 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.557 HD13 ' HD2' ' A' ' 42' ' ' LYS . 22.4 mm -109.65 -76.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.622 -0.263 . . . . 74.430000000000007 111.528 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.455 ' HB2' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -63.94 -20.4 65.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 65.209999999999994 111.026 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.8 p30 . . . . . 0 C--N 1.333 -0.144 0 CA-C-N 116.318 -0.401 . . . . 44.039999999999999 111.623 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.901 0.381 . . . . 73.219999999999999 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -140.25 138.0 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 75.209999999999994 110.765 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.557 ' HD2' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -133.83 144.47 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 74.109999999999999 111.008 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -108.79 118.95 38.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 75.420000000000002 110.821 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.15 -179.43 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.129999999999995 111.178 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.08 102.51 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 72.239999999999995 111.07 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.673 ' CD1' HG21 ' A' ' 160' ' ' VAL . 21.5 mt -118.27 137.42 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.310000000000002 111.079 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.79 33.03 21.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 73.239999999999995 110.961 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.7 28.16 65.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.677 -0.773 . . . . 62.530000000000001 112.471 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -142.14 112.6 7.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 34.420000000000002 110.897 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.4 m -58.67 128.42 37.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 74.209999999999994 110.874 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.7 m -148.74 150.1 32.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 64.030000000000001 111.036 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.62 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -87.41 142.27 28.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 72.329999999999998 110.777 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.6 mt -114.21 101.83 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 74.030000000000001 110.988 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -91.07 92.98 8.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 73.340000000000003 110.703 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.689 ' CD1' HD12 ' A' ' 6' ' ' LEU . 9.3 mm -83.13 108.96 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 51.409999999999997 111.157 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.517 HD21 ' CG2' ' A' ' 58' ' ' THR . 0.2 OUTLIER -97.75 129.28 44.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 53.149999999999999 110.389 179.735 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.52 ' HB2' HG21 ' A' ' 20' ' ' THR . 4.1 t70 -115.16 102.64 10.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 62.420000000000002 111.01 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.517 ' CG2' HD21 ' A' ' 56' ' ' LEU . 10.8 p -87.25 -175.21 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 64.209999999999994 110.748 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 62.100000000000001 111.005 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.7 mtm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.798 0.332 . . . . 61.450000000000003 110.739 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.5 ttp85 -58.0 -37.76 74.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 64.439999999999998 110.687 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.31 -25.73 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 71.239999999999995 110.743 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -71.69 -31.42 66.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 74.230000000000004 111.007 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -74.04 -31.09 62.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.394 . . . . 72.129999999999995 111.04 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.56 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.2 mtt -62.49 -51.75 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 63.509999999999998 110.915 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.408 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 70.7 mtp180 -62.93 -20.0 64.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.532 . . . . 74.340000000000003 111.117 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.4 p -104.24 1.65 30.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 71.510000000000005 111.432 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.429 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -106.34 140.55 15.23 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.666 -0.778 . . . . 72.329999999999998 112.732 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 2.5 mt-10 -84.08 -20.97 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 65.349999999999994 110.818 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.67 177.2 32.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.823 -0.703 . . . . 62.310000000000002 112.26 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -141.65 136.85 31.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.355 . . . . 60.219999999999999 110.969 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.588 HD21 HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -113.64 104.74 12.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 63.509999999999998 110.908 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.503 ' O ' HD12 ' A' ' 113' ' ' LEU . 15.3 m -89.66 115.33 26.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 71.200000000000003 110.718 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.56 ' O ' HD11 ' A' ' 93' ' ' ILE . 3.1 m -100.61 146.12 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 111.127 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.15 139.5 33.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.506 . . . . 75.430000000000007 110.701 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.45 124.43 38.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 75.409999999999997 111.233 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.876 HD12 ' HB3' ' A' ' 123' ' ' ARG . 1.9 pt -61.77 -18.45 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.120000000000005 111.399 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.55 17.58 22.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.479 -0.328 . . . . 72.329999999999998 111.141 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.59 87.26 2.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.866 0.365 . . . . 75.519999999999996 110.7 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.435 HG23 HG22 ' A' ' 125' ' ' VAL . 1.3 m -55.18 -24.67 28.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 64.209999999999994 111.236 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -72.92 -32.49 65.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.394 -0.366 . . . . 70.439999999999998 110.735 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.481 ' OG ' HG11 ' A' ' 14' ' ' VAL . 10.9 t -70.42 -38.44 74.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 55.119999999999997 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.431 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 8.4 t80 -56.5 -36.83 69.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.211 -0.449 . . . . 74.319999999999993 110.764 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.8 -27.16 60.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 62.229999999999997 111.006 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.58 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -69.27 -32.11 71.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 75.209999999999994 110.952 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.56 HD11 ' O ' ' A' ' 81' ' ' VAL . 31.0 mm -60.16 -30.23 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 72.010000000000005 111.137 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -72.82 -55.51 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.319999999999993 110.843 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -65.77 -28.69 69.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 74.530000000000001 111.163 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.1 m-85 -58.03 -36.37 72.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.355 -0.384 . . . . 74.420000000000002 111.003 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.435 ' HD2' ' HE3' ' A' ' 111' ' ' MET . 0.0 OUTLIER -68.93 -32.59 72.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 74.019999999999996 110.736 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.9 -30.05 69.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 73.530000000000001 110.884 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -73.3 -41.63 63.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.426 . . . . 74.120000000000005 110.904 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.48 HG21 HG21 ' A' ' 109' ' ' VAL . 15.1 mt -69.09 -46.37 78.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 74.420000000000002 110.963 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -57.88 -29.03 64.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.230000000000004 111.016 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -58.69 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 54.43 110.797 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 72' ' ' MET . 26.2 t -60.74 -58.1 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 75.109999999999999 111.057 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -63.46 -23.41 67.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 53.5 111.181 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 61.36 44.71 9.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.005 0.431 . . . . 51.32 110.828 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t -152.44 136.88 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 74.340000000000003 110.815 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -32.2 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 75.349999999999994 110.884 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.69 94.86 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.029 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 100' ' ' ILE . 29.1 m -113.19 153.35 45.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 54.149999999999999 110.987 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 57.5 Cg_endo -70.94 107.99 2.21 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.636 2.224 . . . . 71.5 112.375 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.822 ' HG3' HG21 ' A' ' 139' ' ' ILE . 12.4 ptp -152.53 173.93 14.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.140000000000001 110.931 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.674 HG13 ' HG2' ' A' ' 140' ' ' PRO . 17.7 t -145.47 153.59 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 74.019999999999996 111.17 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.815 HD23 ' HB2' ' A' ' 134' ' ' ALA . 5.9 tp -114.61 106.31 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 60.32 110.923 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.733 HG22 ' HB1' ' A' ' 155' ' ' ALA . 21.3 t -98.83 150.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.329999999999998 111.257 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.36 97.86 0.79 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 34.030000000000001 112.355 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.508 HD21 ' HB2' ' A' ' 146' ' ' ALA . 4.1 t-20 -75.51 161.58 29.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 73.329999999999998 110.999 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.529 ' HB3' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER 59.25 69.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.949 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.4 t -116.68 24.52 11.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 73.219999999999999 111.015 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.559 ' CG ' HG21 ' A' ' 148' ' ' THR . 29.7 t70 -111.12 -55.78 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 74.430000000000007 110.835 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.706 HD13 ' H ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -54.42 158.16 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 71.420000000000002 110.939 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -108.9 43.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 62.399999999999999 111.163 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.69 56.36 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 63.539999999999999 111.114 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.876 ' HB3' HD12 ' A' ' 84' ' ' ILE . 1.4 ptt-85 -96.32 160.23 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.422 . . . . 72.319999999999993 111.056 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.8 p -114.85 -37.08 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 53.130000000000003 110.768 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.648 HG13 ' CD ' ' A' ' 129' ' ' GLN . 88.3 t -101.48 141.88 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 53.420000000000002 110.781 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -94.62 158.18 15.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 73.510000000000005 110.777 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -17.81 64.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 72.209999999999994 111.22 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -61.71 -60.64 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.526 -0.306 . . . . 71.450000000000003 110.979 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.648 ' CD ' HG13 ' A' ' 125' ' ' VAL . 14.3 pt20 -62.93 -42.92 99.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 61.149999999999999 110.962 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.431 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -58.52 -32.6 68.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.025 -0.534 . . . . 65.329999999999998 111.175 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -34.93 68.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.915 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.59 -43.87 93.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 62.039999999999999 110.867 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.547 HD22 ' O ' ' A' ' 133' ' ' LEU . 1.1 tm? -66.05 -51.53 57.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 72.239999999999995 111.044 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.815 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -64.25 -43.76 93.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 70.400000000000006 111.125 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -57.89 -41.47 82.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 65.040000000000006 110.845 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.2 t -68.14 -29.59 68.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 73.329999999999998 110.768 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.415 ' CD2' ' HD3' ' A' ' 97' ' ' ARG . 4.0 m-30 -73.47 -24.01 60.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 75.519999999999996 111.103 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.98 14.77 62.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.675 -0.774 . . . . 72.530000000000001 112.647 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.822 HG21 ' HG3' ' A' ' 111' ' ' MET . 15.2 pt -113.51 155.26 45.05 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.692 0.282 . . . . 74.109999999999999 111.357 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.674 ' HG2' HG13 ' A' ' 112' ' ' VAL . 58.8 Cg_endo -72.05 150.13 53.82 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.544 2.162 . . . . 71.25 112.361 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -122.67 107.54 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 74.230000000000004 110.723 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.953 HD11 HG21 ' A' ' 158' ' ' THR . 3.0 mp -109.33 156.86 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 73.209999999999994 111.046 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.458 ' N ' HG22 ' A' ' 142' ' ' ILE . 37.5 mt-10 -119.85 130.42 54.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 110.813 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 151' ' ' GLY . 29.4 p -138.35 173.78 11.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 73.219999999999999 111.025 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.4 p -140.51 116.2 10.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 71.400000000000006 110.748 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.593 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.03 -23.69 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 61.350000000000001 111.29 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -82.72 -56.56 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.406 -0.361 . . . . 61.310000000000002 111.154 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.559 HG21 ' CG ' ' A' ' 119' ' ' ASP . 0.7 OUTLIER -81.15 -21.06 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 74.219999999999999 111.419 -179.71 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 66.13 69.5 0.44 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.875 0.369 . . . . 75.439999999999998 110.83 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.27 119.79 33.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 63.450000000000003 110.911 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.524 ' O ' HG22 ' A' ' 144' ' ' THR . . . 54.67 27.88 44.19 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.865 -0.683 . . . . 65.200000000000003 112.572 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.421 HG11 ' CG ' ' A' ' 22' ' ' GLN . 25.6 t -57.37 -55.46 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 70.400000000000006 111.166 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.437 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 14.0 mt-10 -67.27 -26.66 66.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 73.530000000000001 110.966 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -42.7 80.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 70.019999999999996 110.954 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.733 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -67.56 -40.79 84.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 63.240000000000002 111.015 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -66.02 -50.09 65.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 63.140000000000001 110.849 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.2 m-85 -55.45 -32.53 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 72.030000000000001 110.984 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.953 HG21 HD11 ' A' ' 142' ' ' ILE . 18.1 m -58.62 -37.89 76.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 70.25 110.919 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.431 ' CD2' HD22 ' A' ' 6' ' ' LEU . 28.5 tp -60.7 -41.59 95.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 64.310000000000002 110.881 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.673 HG21 ' CD1' ' A' ' 46' ' ' ILE . 25.5 t -56.88 -41.7 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 42.119999999999997 110.986 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -69.2 -33.93 74.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 64.340000000000003 110.698 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.19 -49.98 57.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 74.230000000000004 110.721 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.66 -49.34 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.141 -0.481 . . . . 54.509999999999998 111.165 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -47.87 -47.87 31.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.956 -0.565 . . . . 75.239999999999995 111.2 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -75.83 -30.43 58.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.375 . . . . 53.409999999999997 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.216 -0.897 . . . . 73.25 110.879 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.609 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.867 0.365 . . . . 63.439999999999998 111.3 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.92 149.77 30.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 110.739 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.55 123.17 47.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 72.010000000000005 110.864 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -111.33 160.82 16.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 61.240000000000002 111.064 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -127.79 94.95 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 73.209999999999994 110.924 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.544 HD12 HD13 ' A' ' 159' ' ' LEU . 3.8 mm? -81.25 109.87 16.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 64.540000000000006 110.92 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.402 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 14.0 t -93.74 102.19 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.310000000000002 111.262 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.401 HG12 ' HE3' ' A' ' 16' ' ' LYS . 29.3 t -96.8 121.29 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 65.439999999999998 111.067 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.7 m -98.17 174.29 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 71.310000000000002 111.129 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -106.7 -177.41 23.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.635 -0.793 . . . . 60.130000000000003 112.491 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.719 ' HB3' HG11 ' A' ' 14' ' ' VAL . . . -162.62 30.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 74.340000000000003 111.063 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.22 -86.61 0.59 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 72.120000000000005 112.59 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.46 78.0 0.3 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.681 -0.771 . . . . 52.439999999999998 112.629 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.719 HG11 ' HB3' ' A' ' 11' ' ' ALA . 32.6 m -142.96 -178.16 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 71.099999999999994 111.314 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -120.55 47.46 1.02 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 64.019999999999996 112.578 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HE3' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -67.42 -35.7 79.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.732 0.301 . . . . 70.109999999999999 110.754 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -71.1 -43.01 68.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 64.120000000000005 110.824 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.544 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -62.51 -43.82 97.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 70.519999999999996 111.235 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.831 HD23 HG13 ' A' ' 152' ' ' VAL . 8.5 mt -56.6 -33.57 66.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 73.209999999999994 111.041 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.785 HG23 HG21 ' A' ' 55' ' ' ILE . 75.6 m -74.4 -57.33 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 73.200000000000003 111.123 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.8 mm -53.26 -33.05 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.424 . . . . 65.019999999999996 111.349 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.41 -47.98 83.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 71.420000000000002 110.723 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.0 tp -76.78 -11.47 59.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 50.149999999999999 111.321 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.409 HG22 ' HG3' ' A' ' 25' ' ' GLN . 25.2 mm -99.74 -73.82 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 111.646 0.239 . . . . 72.439999999999998 111.646 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.409 ' HG3' HG22 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -103.07 9.15 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.891 0.33 . . . . 73.209999999999994 111.891 -179.583 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.788 0.328 . . . . 61.210000000000001 111.561 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.855 0.36 . . . . 73.319999999999993 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -144.63 163.4 34.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 110.701 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -155.39 146.86 22.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.31 -0.404 . . . . 71.129999999999995 110.979 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -104.17 116.33 32.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.074 -0.512 . . . . 55.409999999999997 110.443 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.421 HG21 HD11 ' A' ' 53' ' ' LEU . 35.7 m -131.46 178.98 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 111.328 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.62 100.91 8.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 74.340000000000003 111.017 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.908 HG13 HG11 ' A' ' 160' ' ' VAL . 11.4 mm -78.16 98.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 71.340000000000003 111.017 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 t0 59.76 44.95 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 74.430000000000007 110.961 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.43 19.59 71.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.827 -0.701 . . . . 62.32 112.648 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -123.19 97.74 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 73.329999999999998 110.842 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.6 m -58.58 120.16 8.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 73.400000000000006 110.881 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.8 m -150.95 146.35 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 74.239999999999995 110.839 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.609 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -78.55 153.47 31.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 65.450000000000003 110.857 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD11 HG21 ' A' ' 44' ' ' VAL . 76.0 mt -133.75 86.85 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.5 110.644 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.16 96.94 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 74.049999999999997 111.052 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.785 HG21 HG23 ' A' ' 20' ' ' THR . 19.3 mm -80.59 108.23 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 45.439999999999998 110.907 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.537 HD21 ' CG2' ' A' ' 58' ' ' THR . 0.2 OUTLIER -93.16 119.63 32.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.140000000000001 110.716 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -107.36 100.05 9.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 71.519999999999996 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.537 ' CG2' HD21 ' A' ' 56' ' ' LEU . 11.7 p -81.26 -174.44 4.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 65.129999999999995 110.86 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 65.150000000000006 111.067 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 11.7 mmt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.762 0.315 . . . . 72.239999999999995 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -37.81 77.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 73.530000000000001 110.841 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -72.5 -24.65 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 62.329999999999998 110.767 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -78.16 -43.31 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 61.530000000000001 110.858 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -78.42 -48.45 15.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 74.340000000000003 111.058 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.789 ' HB2' HG11 ' A' ' 103' ' ' VAL . 8.4 mtt -55.07 -52.79 62.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.357 -0.383 . . . . 61.350000000000001 110.918 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.628 ' HG3' HG13 ' A' ' 103' ' ' VAL . 65.6 mtp180 -57.99 -22.61 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.349999999999994 111.253 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.7 p -102.23 -6.7 22.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.354 -0.384 . . . . 61.509999999999998 111.512 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.402 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -88.21 142.73 17.63 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.542 -0.837 . . . . 43.43 112.779 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -99.72 -6.8 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.592 0.234 . . . . 71.549999999999997 111.237 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.71 142.53 7.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.793 -0.717 . . . . 73.030000000000001 112.435 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -115.52 149.16 38.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 65.450000000000003 110.982 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.846 HD12 HD12 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -122.47 117.16 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 64.239999999999995 110.886 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.831 ' HB3' HD12 ' A' ' 93' ' ' ILE . 74.1 m -86.98 117.74 25.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 75.430000000000007 110.787 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -107.24 114.44 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.439999999999998 111.2 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.442 ' CE1' ' HA2' ' A' ' 115' ' ' GLY . 0.3 OUTLIER -132.32 141.28 48.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.533 179.546 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.507 ' HB1' ' CD ' ' A' ' 117' ' ' LYS . . . -92.71 125.54 37.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 64.25 111.182 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.899 HD12 ' HB3' ' A' ' 123' ' ' ARG . 8.1 pt -56.53 -31.7 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.120000000000005 110.943 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.7 -25.61 59.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 73.010000000000005 110.955 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -109.75 106.84 16.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.265 -0.425 . . . . 74.310000000000002 110.931 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.444 HG23 ' CG2' ' A' ' 125' ' ' VAL . 7.0 m -69.13 -27.52 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.230000000000004 110.936 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -55.0 -35.32 64.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 73.310000000000002 111.0 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -64.29 -51.31 64.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 62.539999999999999 110.771 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.422 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 31.3 t80 -55.69 -29.76 59.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 74.129999999999995 110.868 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -75.25 -36.81 61.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.439999999999998 110.934 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.21 -32.62 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.230000000000004 110.967 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.831 HD12 ' HB3' ' A' ' 80' ' ' CYS . 14.7 mm -61.23 -27.37 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.367 -0.378 . . . . 75.129999999999995 110.794 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -74.36 -55.5 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.319999999999993 110.728 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -66.79 -29.98 70.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 75.109999999999999 111.072 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 10' ' ' GLY . 1.8 m-85 -58.6 -42.69 88.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 73.150000000000006 110.891 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.834 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -59.71 -30.44 68.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 54.200000000000003 111.012 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -61.79 -27.18 68.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 73.299999999999997 111.23 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.14 -39.57 23.07 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.752 0.31 . . . . 65.219999999999999 110.833 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' A' ' 97' ' ' ARG . 15.2 mt -57.51 -41.17 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.357 -0.383 . . . . 53.43 111.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HE2' ' NE ' ' A' ' 97' ' ' ARG . 2.1 mptt -56.64 -41.69 77.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.446 -0.343 . . . . 63.030000000000001 110.868 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -60.27 -58.77 7.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 61.439999999999998 110.91 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 72' ' ' MET . 58.2 t -56.36 -64.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 72.239999999999995 111.171 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -58.99 -24.41 62.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 64.409999999999997 110.941 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 61.19 44.99 9.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 75.030000000000001 110.851 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 t -165.43 143.99 6.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 72.430000000000007 110.997 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.91 -52.26 8.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 60.350000000000001 110.898 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -80.44 84.74 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 65.439999999999998 110.933 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.4 m -116.26 154.05 48.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 43.340000000000003 111.127 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.43 107.28 2.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.557 2.171 . . . . 72.530000000000001 112.23 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.616 ' SD ' HD13 ' A' ' 100' ' ' ILE . 2.5 mtm -138.64 172.99 12.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 61.409999999999997 110.892 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.711 HG13 ' HG2' ' A' ' 140' ' ' PRO . 12.9 t -150.91 155.57 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 53.329999999999998 111.079 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.4 ' N ' HG12 ' A' ' 112' ' ' VAL . 3.2 tp -131.91 103.19 6.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 72.349999999999994 110.893 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 1.058 HG21 ' HB1' ' A' ' 155' ' ' ALA . 33.7 t -103.26 134.0 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 41.420000000000002 111.064 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.442 ' HA2' ' CE1' ' A' ' 82' ' ' PHE . . . -93.72 78.57 1.03 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 40.119999999999997 112.475 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.657 HD21 ' HB2' ' A' ' 146' ' ' ALA . 8.8 t30 -59.49 -179.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 74.140000000000001 110.849 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.507 ' CD ' ' HB1' ' A' ' 83' ' ' ALA . 5.7 mttt 61.15 57.78 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 72.340000000000003 110.906 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.44 -1.45 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 65.25 111.406 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.521 ' CG ' HG23 ' A' ' 148' ' ' THR . 34.7 t0 -77.78 -60.76 2.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.739 0.304 . . . . 74.340000000000003 110.679 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.71 HD13 ' H ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -51.41 160.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.049999999999997 111.2 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -109.52 45.18 1.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 64.319999999999993 111.053 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.41 76.65 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 61.149999999999999 111.113 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.899 ' HB3' HD12 ' A' ' 84' ' ' ILE . 2.5 ptp180 -91.13 137.17 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 61.530000000000001 110.849 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.0 p -105.0 -30.09 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 74.310000000000002 110.689 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.444 ' CG2' HG23 ' A' ' 87' ' ' THR . 91.7 t -115.07 100.98 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.008 -0.542 . . . . 74.140000000000001 110.926 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.61 155.32 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 74.219999999999999 110.919 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.3 p -55.13 -27.48 45.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 53.43 111.098 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -58.95 -48.3 82.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.56 -43.9 95.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 74.420000000000002 110.93 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.34 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 62.030000000000001 111.183 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.06 -31.28 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 53.32 110.888 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.94 -38.27 81.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 64.219999999999999 110.958 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.1 tp -79.82 -51.43 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 72.530000000000001 110.941 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.83 86.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 70.219999999999999 111.165 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -57.72 -40.74 80.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 72.420000000000002 110.819 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.1 t -76.55 -31.16 57.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 63.329999999999998 110.606 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.437 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 3.2 m-30 -71.15 -22.33 62.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 74.120000000000005 111.108 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.08 18.51 62.83 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.749 -0.739 . . . . 73.409999999999997 112.329 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 111' ' ' MET . 5.0 pt -113.52 157.35 41.62 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.693 0.283 . . . . 52.020000000000003 111.443 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.711 ' HG2' HG13 ' A' ' 112' ' ' VAL . 58.9 Cg_endo -72.67 156.58 53.33 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.527 2.151 . . . . 63.240000000000002 112.375 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -123.07 116.6 23.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 64.209999999999994 110.829 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 1.052 HD11 HG21 ' A' ' 158' ' ' THR . 2.7 mp -119.64 154.32 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 61.25 110.999 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.4 ' N ' HG22 ' A' ' 142' ' ' ILE . 2.2 mt-10 -122.57 128.97 51.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 71.400000000000006 110.861 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 21.9 p -147.86 177.41 9.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 53.409999999999997 111.07 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.73 118.39 11.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 74.109999999999999 110.761 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.657 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -63.42 -18.97 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 33.43 111.496 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.06 -58.87 2.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.718 0.294 . . . . 75.219999999999999 111.197 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.521 HG23 ' CG ' ' A' ' 119' ' ' ASP . 24.7 p -90.98 12.62 19.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 74.209999999999994 111.621 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 148' ' ' THR . 1.5 ptp85 28.75 64.9 0.11 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.67 0.388 . . . . 73.409999999999997 112.0 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -108.1 101.0 10.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 72.519999999999996 110.984 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.27 16.29 72.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.713 -0.756 . . . . 75.120000000000005 112.868 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.831 HG13 HD23 ' A' ' 19' ' ' LEU . 91.4 t -58.48 -56.01 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 120.845 0.355 . . . . 75.109999999999999 111.097 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 22.8 mt-10 -54.33 -27.44 35.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 73.219999999999999 110.886 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.02 -49.86 63.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 110.912 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 1.058 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -55.58 -41.32 73.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.216 -0.447 . . . . 71.129999999999995 111.165 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -68.15 -50.87 51.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 73.299999999999997 110.872 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 153' ' ' GLU . 17.0 m-85 -56.84 -31.14 64.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 71.319999999999993 110.848 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 1.052 HG21 HD11 ' A' ' 142' ' ' ILE . 16.4 m -58.27 -39.63 79.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 63.530000000000001 110.949 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.846 HD12 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -62.67 -43.04 99.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 75.25 110.765 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.908 HG11 HG13 ' A' ' 46' ' ' ILE . 11.8 t -58.0 -34.81 49.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.272 -0.422 . . . . 71.239999999999995 110.982 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -72.07 -37.58 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 75.200000000000003 110.733 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.32 -44.17 65.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 71.239999999999995 110.847 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.602 HD11 HD22 ' A' ' 159' ' ' LEU . 53.2 mt -59.94 -47.39 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 116.094 -0.503 . . . . 64.049999999999997 111.124 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -54.21 -34.65 61.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 72.0 111.116 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -55.28 -33.81 63.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.364 -0.38 . . . . 65.340000000000003 111.057 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.168 -0.92 . . . . 70.510000000000005 110.919 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.763 0.316 . . . . 65.25 111.18 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.537 HG22 ' HB3' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -88.03 149.67 23.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 55.109999999999999 110.892 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -107.0 109.25 21.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 72.239999999999995 110.857 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.418 ' CE2' HG21 ' A' ' 2' ' ' THR . 26.4 m-85 -99.15 134.95 41.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 73.120000000000005 110.942 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -109.05 99.61 8.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 75.25 110.781 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.933 HD12 ' CD1' ' A' ' 55' ' ' ILE . 17.1 mt -97.78 127.16 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 74.329999999999998 111.26 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.453 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 87.2 t -109.91 102.12 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.035 -0.53 . . . . 73.040000000000006 110.721 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.83 149.63 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 72.25 111.318 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -144.99 177.24 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 50.520000000000003 110.985 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.52 -172.72 22.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.578 -0.82 . . . . 62.520000000000003 112.536 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.507 ' HB2' ' OD2' ' A' ' 92' ' ' ASP . . . -74.36 157.51 35.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 75.420000000000002 111.075 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.49 -24.42 17.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.848 -0.691 . . . . 44.310000000000002 112.739 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.17 83.66 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 53.240000000000002 112.682 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 16' ' ' LYS . 35.0 m -139.27 15.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.677 0.275 . . . . 61.5 111.593 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 48.95 30.7 9.58 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.912 -0.661 . . . . 71.540000000000006 112.889 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HB3' HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -70.42 -44.21 68.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 74.319999999999993 110.822 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.485 ' O ' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -68.32 -22.44 64.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 70.340000000000003 111.022 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.21 -21.67 56.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 65.329999999999998 111.501 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.61 ' CD2' HG12 ' A' ' 152' ' ' VAL . 0.7 OUTLIER -78.75 -29.45 45.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.493 -0.321 . . . . 71.099999999999994 111.258 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 17' ' ' SER . 0.9 OUTLIER -72.59 -29.07 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.491 -0.322 . . . . 63.100000000000001 110.82 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -70.03 -41.04 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.399 -0.364 . . . . 72.140000000000001 110.381 179.624 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -58.0 -48.62 79.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 63.200000000000003 110.598 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.54 -56.75 15.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 64.239999999999995 110.406 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.408 HD13 ' HG2' ' A' ' 42' ' ' LYS . 15.5 mm -53.56 -62.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 74.310000000000002 110.87 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.4 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 9.4 pt20 -116.15 -112.34 0.34 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.956 -0.565 . . . . 72.430000000000007 110.589 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 3.1 m-20 . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.936 0.398 . . . . 71.219999999999999 110.575 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.839 0.352 . . . . 73.209999999999994 111.114 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -127.19 137.31 52.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 64.310000000000002 110.71 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.408 ' HG2' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -126.41 142.02 51.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 61.399999999999999 111.0 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -107.82 118.21 36.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 74.140000000000001 110.646 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.419 HG21 ' HE1' ' A' ' 157' ' ' TYR . 34.4 m -141.82 -178.44 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 73.510000000000005 111.278 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.0 t -122.93 100.75 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 75.420000000000002 111.033 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.63 HG13 HG11 ' A' ' 160' ' ' VAL . 5.6 mm -83.75 102.78 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 61.109999999999999 110.879 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t0 63.16 51.83 2.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 62.32 110.997 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.11 24.6 70.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 52.32 112.634 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -131.98 103.73 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 71.439999999999998 110.858 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.2 m -59.25 120.54 9.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 71.209999999999994 110.793 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.537 ' HB3' HG22 ' A' ' 2' ' ' THR . 66.8 m -142.36 146.87 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.120000000000005 110.942 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.496 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -84.81 143.37 29.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 73.219999999999999 110.923 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.1 mt -119.68 97.24 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 63.240000000000002 110.943 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.53 95.2 9.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 63.020000000000003 110.797 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.933 ' CD1' HD12 ' A' ' 6' ' ' LEU . 8.6 mm -88.86 111.86 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 63.25 111.173 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 56' ' ' LEU . 2.6 tt -105.97 114.95 29.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 61.409999999999997 110.74 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -106.41 101.43 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.349999999999994 110.771 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.626 ' CG2' HD21 ' A' ' 56' ' ' LEU . 10.3 p -75.51 -173.77 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 63.229999999999997 110.877 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 55.329999999999998 111.166 -179.913 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.766 0.317 . . . . 72.310000000000002 110.838 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -37.99 79.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 74.150000000000006 110.699 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.488 ' OD1' HG23 ' A' ' 103' ' ' VAL . 11.7 t70 -70.0 -28.28 65.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 74.510000000000005 110.348 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -76.02 -45.33 34.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.978 -0.555 . . . . 61.219999999999999 111.104 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -75.54 -48.98 20.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 63.299999999999997 111.064 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.538 ' HE1' ' HG3' ' A' ' 99' ' ' GLN . 8.6 mtt -54.39 -53.29 56.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 74.239999999999995 110.999 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.4 -21.76 51.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 74.209999999999994 111.184 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.8 p -102.76 -3.66 26.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.378 . . . . 62.219999999999999 111.585 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.23 129.04 9.54 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.547 -0.835 . . . . 23.219999999999999 112.688 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.449 ' CB ' HD13 ' A' ' 163' ' ' ILE . 5.2 mm-40 -67.67 -26.73 66.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.723 0.297 . . . . 71.140000000000001 110.847 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.711 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -152.22 -173.96 22.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.821 -0.704 . . . . 65.010000000000005 112.341 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.513 ' CE2' HG23 ' A' ' 100' ' ' ILE . 84.0 m-85 -146.44 134.83 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 74.430000000000007 111.123 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.04 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -116.95 122.3 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 64.430000000000007 110.642 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.84 ' HB3' HD12 ' A' ' 93' ' ' ILE . 61.4 m -97.04 109.04 21.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 110.984 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.4 t -102.41 110.27 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 72.519999999999996 111.006 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.802 ' CD1' HD11 ' A' ' 113' ' ' LEU . 10.8 p90 -123.03 141.3 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 71.239999999999995 110.71 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.2 123.63 31.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 61.219999999999999 110.927 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.828 HD12 ' HB2' ' A' ' 123' ' ' ARG . 19.5 pt -58.91 -29.49 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 35.509999999999998 111.151 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.593 ' ND2' ' HB1' ' A' ' 122' ' ' ALA . 25.7 t-20 -71.35 -29.27 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.524 . . . . 63.43 110.855 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -100.03 117.41 34.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 110.85 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -71.09 -38.76 72.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 55.240000000000002 110.829 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.14 -36.54 77.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 70.349999999999994 110.886 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.0 t -59.14 -31.99 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 43.109999999999999 110.799 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -74.02 -30.31 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 75.310000000000002 110.746 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.88 -29.95 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.409999999999997 110.977 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.507 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 6.1 m-20 -70.02 -32.46 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 74.439999999999998 110.885 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.84 HD12 ' HB3' ' A' ' 80' ' ' CYS . 27.5 mm -61.31 -27.48 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 64.030000000000001 110.845 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -75.45 -55.3 5.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 64.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -30.82 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 71.200000000000003 111.023 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.4 m-85 -62.21 -47.2 85.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 72.219999999999999 110.846 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.404 ' NE ' ' HE2' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -57.86 -43.26 85.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 74.219999999999999 111.032 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.16 -28.43 64.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.253 -0.431 . . . . 72.519999999999996 111.203 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.538 ' HG3' ' HE1' ' A' ' 72' ' ' MET . 0.3 OUTLIER -76.19 -41.74 48.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.464 -0.335 . . . . 72.510000000000005 110.885 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.513 HG23 ' CE2' ' A' ' 78' ' ' PHE . 80.8 mt -56.94 -56.96 11.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 73.230000000000004 110.884 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HE2' ' NE ' ' A' ' 97' ' ' ARG . 0.2 OUTLIER -58.87 -26.5 64.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.010000000000005 110.78 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -57.14 4.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 75.530000000000001 110.99 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.488 HG23 ' OD1' ' A' ' 69' ' ' ASP . 12.3 p -68.93 -36.28 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.42 -0.354 . . . . 75.140000000000001 111.135 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.87 -20.69 57.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 70.430000000000007 111.09 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.03 35.98 12.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.871 0.367 . . . . 73.299999999999997 110.683 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.4 p -138.47 -176.56 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 72.310000000000002 110.862 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.68 -71.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 70.540000000000006 110.778 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.65 82.38 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 64.420000000000002 110.765 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.2 m -98.42 152.9 38.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 52.43 111.315 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.413 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 57.6 Cg_endo -70.69 108.02 2.16 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.695 2.263 . . . . 72.349999999999994 112.352 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.696 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.9 ptp -154.29 167.94 28.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 70.340000000000003 110.898 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.8 t -143.78 152.04 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.140000000000001 111.186 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.802 HD11 ' CD1' ' A' ' 82' ' ' PHE . 9.4 tp -115.06 111.51 21.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 63.240000000000002 110.746 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.662 HG21 HD21 ' A' ' 79' ' ' LEU . 21.3 t -103.02 150.18 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 72.540000000000006 111.199 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.41 78.89 0.24 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 72.219999999999999 112.508 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -59.31 159.55 7.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.314 . . . . 72.019999999999996 110.469 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.58 48.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 72.150000000000006 110.765 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.3 t -110.0 36.19 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 70.549999999999997 110.988 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.571 ' HB2' HG21 ' A' ' 148' ' ' THR . 5.8 p-10 -119.94 -46.2 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.42 . . . . 62.049999999999997 110.967 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -72.85 161.25 30.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.299999999999997 110.861 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -90.91 57.12 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 72.310000000000002 111.075 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.593 ' HB1' ' ND2' ' A' ' 85' ' ' ASN . . . -141.84 69.52 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.319999999999993 111.055 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.828 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -101.17 110.2 22.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 64.530000000000001 110.79 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.3 p -84.31 -49.63 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.120000000000005 110.614 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 30.0 t -88.08 107.61 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.03 -0.532 . . . . 74.319999999999993 110.817 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -54.58 160.65 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 63.399999999999999 111.119 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.9 m -60.69 -41.5 95.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 71.219999999999999 111.059 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -54.39 -46.65 73.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 72.120000000000005 110.963 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -60.29 -41.18 92.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 110.916 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.55 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 63.530000000000001 111.088 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -36.44 73.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 71.310000000000002 110.892 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -57.22 -47.7 80.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 75.310000000000002 110.969 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.547 ' C ' HD13 ' A' ' 133' ' ' LEU . 1.0 OUTLIER -66.83 -51.55 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.299999999999997 110.959 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.532 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -58.15 -43.72 87.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 74.530000000000001 111.257 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -61.04 -40.6 94.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 73.219999999999999 110.935 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.7 t -66.34 -25.65 66.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 65.019999999999996 110.984 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.474 ' CZ ' HD21 ' A' ' 133' ' ' LEU . 6.0 m-30 -84.58 -24.02 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 71.340000000000003 111.222 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.79 15.53 63.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.732 . . . . 75.239999999999995 112.589 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.696 HG21 ' HG3' ' A' ' 111' ' ' MET . 13.4 pt -110.76 153.45 43.67 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 51.130000000000003 111.312 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.59 154.28 68.61 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.561 2.174 . . . . 65.120000000000005 112.253 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -124.59 117.77 25.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 74.439999999999998 110.761 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.807 HD11 HG21 ' A' ' 158' ' ' THR . 2.5 mp -119.43 147.63 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 70.430000000000007 111.102 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -107.69 137.97 44.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 64.409999999999997 110.854 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 20.5 p -152.39 179.6 8.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 70.400000000000006 111.327 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.07 119.13 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.784 -0.644 . . . . 74.439999999999998 110.263 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.6 -40.82 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 44.25 111.497 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -64.12 -66.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.389 -0.369 . . . . 65.329999999999998 111.185 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.571 HG21 ' HB2' ' A' ' 119' ' ' ASP . 26.9 p -70.38 -23.52 62.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.384 . . . . 70.129999999999995 111.443 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 66.31 67.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 71.319999999999993 110.672 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -116.52 125.1 51.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 64.519999999999996 111.096 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 54.33 25.83 34.84 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.89 -0.672 . . . . 73.230000000000004 112.727 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.61 HG12 ' CD2' ' A' ' 19' ' ' LEU . 31.4 m -61.75 -38.38 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 74.400000000000006 111.194 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.7 mt-10 -73.81 -33.3 64.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.219999999999999 110.93 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -46.56 88.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.140000000000001 110.93 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.63 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -66.49 -41.7 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 61.329999999999998 111.187 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 19.5 m-85 -65.18 -49.68 68.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 74.040000000000006 111.111 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.1 m-85 -55.09 -34.34 63.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 74.219999999999999 111.107 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.807 HG21 HD11 ' A' ' 142' ' ' ILE . 2.3 m -53.6 -39.0 64.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.332 -0.395 . . . . 45.340000000000003 111.161 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 1.04 HD23 HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -59.96 -43.06 95.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.129999999999995 111.024 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.63 HG11 HG13 ' A' ' 46' ' ' ILE . 3.8 t -62.0 -45.19 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 75.329999999999998 111.017 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -62.31 -43.99 97.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 55.020000000000003 111.023 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -58.44 -41.69 85.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 72.209999999999994 110.907 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.449 HD13 ' CB ' ' A' ' 76' ' ' GLU . 92.2 mt -69.58 -47.23 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 65.319999999999993 111.112 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -49.56 74.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 62.049999999999997 111.018 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -20.63 61.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 70.519999999999996 111.186 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.194 -0.908 . . . . 74.230000000000004 110.82 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.468 ' CG ' HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.949 0.404 . . . . 74.040000000000006 111.288 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.41 145.02 19.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.928 -0.578 . . . . 74.329999999999998 110.859 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -109.47 126.6 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 73.129999999999995 110.78 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.591 ' HB2' HD23 ' A' ' 53' ' ' LEU . 13.0 m-85 -101.72 109.46 21.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 74.209999999999994 111.09 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -82.99 95.77 8.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.140000000000001 110.786 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.657 HD22 ' HG ' ' A' ' 159' ' ' LEU . 41.5 mt -97.34 111.0 23.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 63.439999999999998 111.067 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.512 HG23 ' HA3' ' A' ' 75' ' ' GLY . 60.7 t -85.48 105.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 63.539999999999999 111.07 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.9 t -88.43 138.97 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 64.420000000000002 111.0 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.517 ' O ' HG12 ' A' ' 81' ' ' VAL . 23.6 m -141.17 149.54 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 74.420000000000002 111.062 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.58 -161.36 12.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.637 -0.792 . . . . 52.310000000000002 112.558 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.616 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . -98.87 29.44 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 64.510000000000005 111.12 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.8 -64.19 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 64.450000000000003 112.496 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.81 44.65 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.717 . . . . 73.219999999999999 112.534 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.616 HG13 ' HB3' ' A' ' 11' ' ' ALA . 12.2 m -112.34 -30.2 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.695 0.283 . . . . 54.450000000000003 111.289 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.98 28.75 3.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 71.329999999999998 112.452 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -60.33 -49.53 77.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.675 0.274 . . . . 72.439999999999998 111.058 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -71.52 -29.52 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 23.109999999999999 110.82 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.7 -50.03 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 64.549999999999997 111.096 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.4 mt -57.45 -31.94 66.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 64.340000000000003 110.937 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.41 HG23 HG21 ' A' ' 55' ' ' ILE . 24.6 m -63.57 -58.29 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 61.530000000000001 110.995 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 mm -54.76 -29.67 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 73.310000000000002 111.171 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -65.6 -49.88 67.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 53.119999999999997 110.69 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.44 -6.59 52.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 74.430000000000007 111.36 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 42' ' ' LYS . 24.7 mm -101.99 -74.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.836 0.351 . . . . 73.319999999999993 111.054 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -92.78 -22.51 19.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 73.150000000000006 111.26 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.407 -0.36 . . . . 72.439999999999998 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 72.409999999999997 110.839 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -125.81 133.79 51.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 73.540000000000006 110.873 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.45 ' HB2' HD13 ' A' ' 24' ' ' ILE . 6.7 tptp -134.46 132.25 39.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 61.420000000000002 110.966 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -94.59 121.5 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 60.399999999999999 110.84 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 m -143.94 -176.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.309 -0.405 . . . . 65.329999999999998 111.303 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 45' ' ' VAL . 10.8 p -124.23 121.73 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.329999999999998 111.083 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.464 HG13 HG21 ' A' ' 160' ' ' VAL . 11.0 mm -103.21 106.54 20.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 74.25 111.173 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t70 59.56 37.87 22.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 75.129999999999995 110.817 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.79 20.68 63.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.892 -0.671 . . . . 62.210000000000001 112.548 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -126.0 101.17 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 74.040000000000006 110.783 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -60.73 126.08 26.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 71.010000000000005 111.046 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 m -157.77 150.86 23.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 74.209999999999994 110.776 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 1' ' ' MET . 1.4 tp -78.58 152.14 32.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 75.430000000000007 110.769 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.591 HD23 ' HB2' ' A' ' 4' ' ' TYR . 30.6 mt -124.85 88.15 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 65.209999999999994 110.927 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.68 98.0 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 53.520000000000003 110.82 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.504 ' CD1' HD12 ' A' ' 6' ' ' LEU . 24.3 mm -88.9 108.38 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 70.510000000000005 111.071 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.619 HD21 HG22 ' A' ' 58' ' ' THR . 2.6 tt -100.77 125.06 47.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 55.409999999999997 110.788 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -115.36 103.55 10.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 73.430000000000007 110.72 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.619 HG22 HD21 ' A' ' 56' ' ' LEU . 6.1 p -75.49 169.61 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 72.109999999999999 110.821 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 52.32 111.159 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 74.340000000000003 111.011 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -59.13 -37.25 76.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 63.350000000000001 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -71.54 -29.24 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 110.738 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -67.06 -41.18 86.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 74.239999999999995 110.767 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -69.88 -34.08 73.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 73.200000000000003 111.2 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.63 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.8 mtt -62.72 -48.55 78.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 73.200000000000003 111.054 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 68.7 mtp180 -70.13 -19.42 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.439999999999998 111.372 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 p -102.62 -5.81 23.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.579 -0.282 . . . . 74.5 111.29 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.512 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -100.35 117.95 6.03 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.625 -0.798 . . . . 61.039999999999999 112.64 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.36 -27.48 69.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.718 0.294 . . . . 55.399999999999999 110.886 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.614 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -147.92 169.78 28.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 73.099999999999994 112.36 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.582 ' CE1' HG23 ' A' ' 100' ' ' ILE . 74.7 m-85 -131.44 145.27 51.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 74.439999999999998 110.923 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -118.35 121.33 40.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 73.209999999999994 110.902 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.487 ' O ' HD12 ' A' ' 113' ' ' LEU . 42.6 m -96.54 100.01 11.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 53.5 110.827 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 9' ' ' VAL . 6.3 p -106.9 135.78 44.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 71.200000000000003 111.124 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -149.55 167.52 26.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 74.239999999999995 110.887 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.432 ' HB1' ' CD ' ' A' ' 117' ' ' LYS . . . -107.26 124.35 49.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 73.450000000000003 111.104 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.792 HD12 ' HB2' ' A' ' 123' ' ' ARG . 16.1 pt -61.91 -31.61 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 71.219999999999999 110.945 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -66.04 -29.33 69.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 74.140000000000001 110.941 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -108.04 107.44 18.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 72.340000000000003 110.887 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.8 m -63.04 -24.32 67.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 73.329999999999998 111.021 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -40.61 96.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.428 -0.351 . . . . 73.230000000000004 110.733 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.514 ' HA ' ' HB2' ' A' ' 11' ' ' ALA . 95.6 p -59.62 -49.87 76.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 61.200000000000003 110.697 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -58.15 -30.55 66.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 73.400000000000006 110.586 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.95 -29.28 39.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 72.239999999999995 110.875 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.45 ' HA ' ' NE2' ' A' ' 95' ' ' GLN . 91.6 m-20 -76.31 -45.72 31.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 74.239999999999995 110.976 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.454 ' HA ' HD13 ' A' ' 93' ' ' ILE . 2.5 mm -53.08 -27.06 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 120.957 0.408 . . . . 72.430000000000007 110.623 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.58 -52.88 55.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 75.439999999999998 110.709 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.533 ' HG2' ' N ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -68.65 -29.91 68.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 74.519999999999996 110.818 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.533 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 12.0 m-85 -63.48 -42.14 98.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 72.140000000000001 110.715 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.447 ' HG2' ' HE1' ' A' ' 111' ' ' MET . 0.2 OUTLIER -63.73 -31.49 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 74.239999999999995 110.688 179.679 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.28 -37.98 89.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 74.329999999999998 111.047 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -39.15 82.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 74.310000000000002 110.92 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.582 HG23 ' CE1' ' A' ' 78' ' ' PHE . 72.3 mt -60.35 -42.4 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 62.450000000000003 111.091 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -35.96 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 75.319999999999993 111.085 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -58.98 3.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 73.239999999999995 111.116 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.63 HG11 ' HB2' ' A' ' 72' ' ' MET . 57.8 t -59.1 -59.98 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 74.439999999999998 111.116 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -60.42 -25.12 65.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 74.420000000000002 110.862 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.1 t0 62.03 41.49 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 73.209999999999994 110.737 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -158.49 128.31 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 72.040000000000006 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.58 -24.79 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 40.100000000000001 111.137 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -110.61 95.67 5.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 75.140000000000001 111.176 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.532 HG21 ' CG2' ' A' ' 100' ' ' ILE . 29.8 m -121.85 153.44 60.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 72.409999999999997 110.869 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.63 102.5 1.17 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.533 2.156 . . . . 70.430000000000007 112.36 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.792 ' HG3' HG21 ' A' ' 139' ' ' ILE . 10.5 ptp -148.2 174.04 12.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 63.439999999999998 110.815 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.584 HG13 ' HG2' ' A' ' 140' ' ' PRO . 14.8 t -146.88 156.07 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 61.219999999999999 111.262 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 80' ' ' CYS . 3.4 tp -117.61 109.03 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 64.040000000000006 110.881 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.656 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 32.9 t -103.9 144.6 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 70.140000000000001 111.142 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.17 83.11 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 72.299999999999997 112.505 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -60.02 170.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 72.519999999999996 110.918 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.432 ' CD ' ' HB1' ' A' ' 83' ' ' ALA . 9.1 mttt 59.65 63.37 1.52 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 52.439999999999998 110.882 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 16.4 t -104.5 -35.97 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 72.549999999999997 110.992 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.521 ' CG ' HG21 ' A' ' 148' ' ' THR . 28.4 t70 -68.98 -23.61 64.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 74.340000000000003 111.153 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 40.8 mt -53.65 -179.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.503 -0.317 . . . . 73.0 111.025 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -131.11 28.36 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.376 . . . . 44.119999999999997 111.323 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.26 66.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.339 -0.391 . . . . 74.310000000000002 111.148 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.792 ' HB2' HD12 ' A' ' 84' ' ' ILE . 10.4 ptt180 -92.16 134.05 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.340000000000003 111.052 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.6 p -103.53 -32.64 9.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 71.049999999999997 110.639 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.9 t -101.19 95.88 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.928 -0.578 . . . . 75.099999999999994 110.781 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.58 158.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 64.439999999999998 111.169 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.3 t -54.8 -48.72 72.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 65.140000000000001 111.466 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -34.61 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 73.329999999999998 111.157 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -67.14 -32.15 73.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 62.109999999999999 110.801 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.06 -30.03 39.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 75.049999999999997 111.2 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.98 -30.78 62.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 63.439999999999998 110.983 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.14 -43.55 92.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 70.129999999999995 111.017 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.64 -48.39 48.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 64.109999999999999 110.809 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.469 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -61.28 -45.6 93.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 45.039999999999999 111.073 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -55.68 -42.45 75.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 74.329999999999998 110.91 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.8 t -72.17 -31.21 65.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 54.130000000000003 110.623 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -73.04 -23.7 60.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 72.109999999999999 111.021 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.99 16.13 63.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.67 -0.776 . . . . 75.219999999999999 112.614 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.792 HG21 ' HG3' ' A' ' 111' ' ' MET . 3.2 pt -119.56 157.32 52.14 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 120.723 0.297 . . . . 73.150000000000006 111.341 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.584 ' HG2' HG13 ' A' ' 112' ' ' VAL . 50.3 Cg_endo -69.3 167.3 24.25 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.499 2.132 . . . . 74.329999999999998 112.2 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -134.28 117.05 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 74.219999999999999 110.573 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.619 HD13 ' HA ' ' A' ' 155' ' ' ALA . 1.8 mp -117.4 137.81 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 71.519999999999996 111.329 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -103.98 131.87 50.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 71.109999999999999 110.511 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 22.0 p -148.31 173.44 13.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.947 0.403 . . . . 72.349999999999994 111.436 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.83 135.32 34.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.878 -0.601 . . . . 44.130000000000003 110.791 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.05 -11.28 59.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 73.019999999999996 111.825 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -93.89 -48.54 6.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.358 . . . . 71.340000000000003 111.047 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.521 HG21 ' CG ' ' A' ' 119' ' ' ASP . 20.5 p -95.11 0.83 54.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 63.450000000000003 111.616 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.469 ' HA ' HG21 ' A' ' 152' ' ' VAL . 10.3 ptm180 42.71 54.38 4.6 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.896 0.379 . . . . 65.310000000000002 111.523 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.94 121.15 41.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 73.530000000000001 111.19 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 63.42 13.97 52.29 Favored Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.843 -0.694 . . . . 53.039999999999999 113.173 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.469 HG21 ' HA ' ' A' ' 149' ' ' ARG . 85.1 t -57.53 -54.83 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 116.963 0.382 . . . . 75.129999999999995 110.906 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.416 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 1.7 mt-10 -61.16 -33.03 72.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 71.049999999999997 110.492 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -30.1 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 70.200000000000003 110.831 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.656 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -72.32 -50.42 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 63.350000000000001 111.201 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -63.63 -47.52 81.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 73.349999999999994 111.152 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.445 ' HA ' ' CG1' ' A' ' 160' ' ' VAL . 14.0 m-85 -52.16 -27.25 13.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.575 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.609 HG21 HD11 ' A' ' 142' ' ' ILE . 18.5 m -68.34 -37.85 80.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.351 . . . . 71.209999999999994 111.155 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.657 ' HG ' HD22 ' A' ' 6' ' ' LEU . 17.2 tp -68.14 -51.6 44.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 74.030000000000001 110.708 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.501 HG23 ' CE2' ' A' ' 4' ' ' TYR . 2.2 p -64.64 -34.47 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.177 -0.465 . . . . 65.239999999999995 111.079 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -69.41 -34.06 73.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.902 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.6 -35.95 60.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 72.409999999999997 111.047 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 160' ' ' VAL . 36.2 mt -64.7 -33.13 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 73.109999999999999 111.282 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -53.18 -46.77 69.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 75.530000000000001 111.046 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -65.11 -35.63 81.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 74.010000000000005 110.9 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.322 -0.847 . . . . 73.030000000000001 110.974 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.485 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.806 0.336 . . . . 74.120000000000005 111.185 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.42 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -95.89 149.77 21.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 64.120000000000005 110.758 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -101.87 128.25 48.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 73.310000000000002 110.747 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.42 ' CE2' ' CG2' ' A' ' 2' ' ' THR . 36.0 m-85 -119.51 104.73 10.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 64.430000000000007 111.032 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 95.86 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.549999999999997 110.618 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.774 HD12 ' CD1' ' A' ' 55' ' ' ILE . 26.5 mt -93.67 113.48 25.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 64.299999999999997 111.155 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.515 HG23 ' HA3' ' A' ' 75' ' ' GLY . 65.3 t -94.75 116.95 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.420000000000002 111.008 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.1 t -91.18 139.7 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.530000000000001 111.08 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.679 HG12 HH22 ' A' ' 68' ' ' ARG . 18.5 m -142.46 160.97 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 62.439999999999998 111.052 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.82 -100.07 0.13 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.704 -0.76 . . . . 52.439999999999998 112.589 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.11 91.92 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 73.200000000000003 111.052 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.14 -80.13 0.2 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 53.200000000000003 112.338 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.408 ' C ' HG22 ' A' ' 14' ' ' VAL . . . -114.97 -78.98 0.81 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.833 -0.699 . . . . 50.109999999999999 112.484 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.849 HG11 ' OG ' ' A' ' 89' ' ' SER . 15.7 m 40.79 31.59 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 112.003 0.372 . . . . 70.049999999999997 112.003 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.2 32.92 29.76 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.872 -0.68 . . . . 74.120000000000005 112.706 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -68.31 -38.76 81.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 75.209999999999994 111.024 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.0 p -81.12 -36.27 30.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 34.100000000000001 111.044 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -52.94 -50.43 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 71.25 111.351 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.607 HD12 HG11 ' A' ' 81' ' ' VAL . 94.3 mt -56.82 -30.98 64.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.351 -0.386 . . . . 74.420000000000002 110.978 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.4 m -72.06 -43.03 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 62.240000000000002 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.6 mm -67.67 -42.69 86.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 73.150000000000006 111.138 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.408 ' HB3' HG11 ' A' ' 152' ' ' VAL . 1.3 tp-100 -59.02 -41.31 87.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 52.149999999999999 110.843 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.513 HD22 ' CD2' ' A' ' 156' ' ' PHE . 37.8 tp -76.77 -10.33 59.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 75.340000000000003 111.334 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 mm -111.64 -74.08 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.694 0.283 . . . . 64.450000000000003 111.508 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -82.36 -19.74 38.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.405 -0.361 . . . . 75.329999999999998 111.603 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.871 0.367 . . . . 72.349999999999994 110.913 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.842 0.353 . . . . 74.230000000000004 110.93 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -134.39 159.68 40.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 61.43 110.846 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -155.88 147.04 22.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.140000000000001 110.937 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -111.28 120.14 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 70.340000000000003 110.826 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 m -139.41 -178.88 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.349999999999994 111.075 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -124.29 100.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 64.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.643 ' CD1' HG21 ' A' ' 160' ' ' VAL . 18.6 mt -115.37 128.17 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 72.310000000000002 110.941 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 68.31 31.89 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 74.230000000000004 110.915 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.21 31.22 78.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 40.340000000000003 112.631 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.52 112.42 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 73.109999999999999 110.835 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -62.3 125.09 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 44.219999999999999 110.801 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.5 m -146.63 151.17 36.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 72.040000000000006 110.892 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -85.14 145.17 27.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 64.549999999999997 110.825 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.6 95.66 5.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 62.109999999999999 110.942 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.98 94.96 10.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.885 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.774 ' CD1' HD12 ' A' ' 6' ' ' LEU . 22.0 mm -91.35 108.39 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 73.209999999999994 111.101 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.518 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -105.17 119.61 39.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 52.210000000000001 110.717 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.45 105.0 16.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 65.230000000000004 110.848 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.518 HG22 HD21 ' A' ' 56' ' ' LEU . 7.9 p -79.03 -173.91 3.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 73.510000000000005 110.839 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 121.099 0.476 . . . . 54.32 111.376 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.79 0.329 . . . . 72.549999999999997 110.965 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.679 HH22 HG12 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -61.62 -34.54 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 75.420000000000002 110.998 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -73.0 -30.24 63.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 62.0 110.763 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.621 ' O ' HG23 ' A' ' 74' ' ' THR . 0.0 OUTLIER -72.55 -54.94 7.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 70.109999999999999 110.897 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -63.7 -37.68 88.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 74.439999999999998 111.034 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.557 ' HB3' HG11 ' A' ' 103' ' ' VAL . 11.4 mtt -69.09 -38.82 79.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.140000000000001 110.982 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.495 ' HG3' HG13 ' A' ' 103' ' ' VAL . 60.8 mtp180 -72.67 -13.7 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.430000000000007 111.325 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 70' ' ' GLN . 73.9 p -101.84 -15.99 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.544 -0.298 . . . . 63.32 111.375 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.515 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -84.11 124.83 6.82 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.631 -0.795 . . . . 61.109999999999999 112.741 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.51 -19.21 59.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.687 0.279 . . . . 65.349999999999994 110.958 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.456 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -147.63 150.41 22.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.858 -0.687 . . . . 64.420000000000002 112.269 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.517 ' CE2' HG23 ' A' ' 100' ' ' ILE . 29.1 m-85 -118.91 135.16 54.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 64.239999999999995 111.095 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.91 120.23 37.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.209999999999994 110.857 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.656 ' HB3' HD12 ' A' ' 93' ' ' ILE . 3.9 m -96.84 103.76 15.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 72.209999999999994 110.93 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.607 HG11 HD12 ' A' ' 19' ' ' LEU . 46.8 t -101.94 108.29 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 71.140000000000001 111.189 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.22 153.42 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 75.010000000000005 110.714 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' HB2' ' HE3' ' A' ' 117' ' ' LYS . . . -95.41 123.67 39.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.235 -0.439 . . . . 63.020000000000003 110.996 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.681 HD12 ' HB3' ' A' ' 123' ' ' ARG . 2.4 pt -60.59 -21.61 23.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 71.400000000000006 111.261 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -85.44 -24.76 27.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 71.25 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.82 99.02 8.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 71.109999999999999 110.902 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.46 HG23 HG22 ' A' ' 125' ' ' VAL . 7.9 m -62.96 -26.76 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 70.120000000000005 110.92 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -54.45 -43.55 71.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 72.349999999999994 111.012 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.849 ' OG ' HG11 ' A' ' 14' ' ' VAL . 3.7 t -55.38 -46.6 76.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 75.310000000000002 111.001 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.15 -27.03 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 72.239999999999995 111.143 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.66 -40.91 63.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 72.430000000000007 110.931 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.22 -33.59 59.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 61.43 111.023 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' A' ' 80' ' ' CYS . 25.8 mm -50.57 -40.43 19.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.394 -0.366 . . . . 55.43 110.811 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -76.62 -40.52 49.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 64.329999999999998 110.363 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -51.2 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 73.409999999999997 110.893 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -59.58 -32.28 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 54.350000000000001 111.004 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -44.85 93.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 73.329999999999998 110.967 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.0 -35.19 68.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 65.340000000000003 111.008 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.746 ' O ' HG23 ' A' ' 103' ' ' VAL . 37.8 mt-30 -71.94 -36.53 69.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 63.409999999999997 110.767 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.64 ' CG2' HG21 ' A' ' 109' ' ' VAL . 88.0 mt -58.88 -46.06 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 73.540000000000006 111.14 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -44.56 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 65.5 110.94 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -68.38 -40.46 81.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 63.229999999999997 111.428 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 99' ' ' GLN . 59.5 t -50.9 -49.88 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 43.119999999999997 111.418 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HG3' ' CG1' ' A' ' 109' ' ' VAL . 0.0 OUTLIER -105.89 7.2 32.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.443 -0.344 . . . . 61.409999999999997 111.416 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t70 46.94 63.87 1.77 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.818 0.342 . . . . 73.230000000000004 111.281 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.75 146.09 0.43 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 34.43 110.842 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -77.53 -51.64 10.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 62.43 110.916 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -77.63 79.63 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 111.02 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.64 HG21 ' CG2' ' A' ' 100' ' ' ILE . 9.1 m -107.54 149.76 39.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 111.029 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.406 ' HB2' HG12 ' A' ' 163' ' ' ILE . 47.3 Cg_endo -68.59 108.97 1.96 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.563 2.176 . . . . 73.209999999999994 112.14 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.535 ' HG3' HG21 ' A' ' 139' ' ' ILE . 9.8 ptp -156.71 173.56 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 72.219999999999999 110.994 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.586 HG13 ' HG2' ' A' ' 140' ' ' PRO . 9.6 t -147.82 156.91 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 73.329999999999998 111.055 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 134' ' ' ALA . 6.9 tp -121.4 102.92 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 54.240000000000002 110.798 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.766 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 18.1 t -96.99 152.73 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 51.549999999999997 111.125 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.79 90.62 0.47 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.729 . . . . 63.219999999999999 112.425 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -68.91 173.58 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 73.310000000000002 110.837 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' ' 83' ' ' ALA . 19.4 mttt 62.35 69.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.299999999999997 110.915 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.6 t -109.14 -25.11 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 52.549999999999997 111.14 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -53.72 -66.94 0.3 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.41 -0.359 . . . . 75.239999999999995 110.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.708 HD13 ' H ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -50.0 173.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 73.549999999999997 111.272 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.27 40.86 3.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 65.120000000000005 111.184 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -121.77 61.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 72.420000000000002 111.057 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.681 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -83.22 98.64 9.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.108 -0.496 . . . . 72.010000000000005 111.164 -179.786 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.5 p -69.71 -28.12 65.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 71.219999999999999 110.661 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.46 HG22 HG23 ' A' ' 87' ' ' THR . 94.6 t -105.56 110.89 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 116.151 -0.477 . . . . 73.25 110.832 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.91 160.69 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 63.43 110.977 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.2 p -66.44 -33.19 75.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 110.754 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -57.92 -45.4 86.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.129999999999995 110.766 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -65.68 -42.35 91.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 64.329999999999998 110.809 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.05 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 51.229999999999997 110.994 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.86 -36.29 81.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 73.230000000000004 110.871 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.68 -36.8 77.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.420000000000002 110.782 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.403 HD11 ' OH ' ' A' ' 137' ' ' TYR . 24.2 tp -76.3 -51.19 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 74.420000000000002 110.771 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.518 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -61.43 -42.99 99.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 60.450000000000003 111.076 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -62.28 -27.67 69.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 74.519999999999996 111.188 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -30.53 60.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 73.150000000000006 110.783 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.535 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.0 m-85 -85.41 -10.03 56.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 73.310000000000002 111.326 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.63 24.19 76.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.635 -0.793 . . . . 60.350000000000001 112.362 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.535 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.3 pt -113.9 157.3 42.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 54.009999999999998 111.524 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.586 ' HG2' HG13 ' A' ' 112' ' ' VAL . 61.2 Cg_endo -73.13 147.59 42.99 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.593 2.195 . . . . 73.010000000000005 112.138 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -116.88 102.4 9.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 63.5 110.734 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 1.046 HD11 HG21 ' A' ' 158' ' ' THR . 3.0 mp -104.46 150.31 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 73.409999999999997 111.192 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -119.52 129.85 54.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 74.209999999999994 110.869 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 151' ' ' GLY . 22.2 p -134.89 -177.93 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 70.540000000000006 111.118 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.1 p -152.33 118.27 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 70.420000000000002 110.649 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -74.73 -24.61 58.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.37 -0.377 . . . . 63.240000000000002 111.35 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -76.08 -52.48 10.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.383 -0.372 . . . . 70.310000000000002 110.986 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p -90.64 -16.11 29.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.4 . . . . 51.140000000000001 111.488 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.498 ' HG2' HG21 ' A' ' 152' ' ' VAL . 3.2 tmt_? 64.35 70.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 61.409999999999997 110.622 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.05 124.49 44.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 74.5 111.061 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.532 ' O ' HG22 ' A' ' 144' ' ' THR . . . 51.93 26.04 17.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.985 -0.626 . . . . 72.310000000000002 112.897 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.498 HG21 ' HG2' ' A' ' 149' ' ' ARG . 22.4 t -58.61 -54.85 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 60.039999999999999 111.25 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.416 ' HG2' HD13 ' A' ' 23' ' ' LEU . 25.5 mt-10 -65.16 -27.65 68.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 64.340000000000003 111.101 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -57.69 -57.4 12.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.358 -0.383 . . . . 70.019999999999996 111.067 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.766 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -51.67 -38.88 56.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 73.439999999999998 111.364 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.513 ' CD2' HD22 ' A' ' 23' ' ' LEU . 43.8 m-85 -70.43 -49.49 48.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 65.219999999999999 110.873 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.5 m-85 -57.5 -30.25 64.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 75.510000000000005 110.878 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 1.046 HG21 HD11 ' A' ' 142' ' ' ILE . 35.7 m -60.38 -37.45 80.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 110.852 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.559 ' CD2' HD22 ' A' ' 6' ' ' LEU . 46.0 tp -63.07 -43.67 97.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 34.409999999999997 110.824 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.643 HG21 ' CD1' ' A' ' 46' ' ' ILE . 23.3 t -53.77 -40.04 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 72.129999999999995 111.136 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -31.23 68.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 75.200000000000003 110.775 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.68 -48.17 34.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 74.329999999999998 110.776 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.456 HD11 ' HA3' ' A' ' 77' ' ' GLY . 67.5 mt -60.85 -55.61 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.285 -0.416 . . . . 74.439999999999998 111.271 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -40.18 74.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 74.319999999999993 110.869 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.62 -21.43 66.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 74.5 111.036 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.229 -0.891 . . . . 63.340000000000003 110.831 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.68 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 121.032 0.444 . . . . 74.430000000000007 111.308 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.97 149.73 31.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.717 -0.674 . . . . 64.140000000000001 110.81 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -110.1 122.27 47.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 54.439999999999998 110.727 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -107.66 128.08 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 70.329999999999998 110.937 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.38 92.04 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 60.43 110.905 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.401 HD22 HD13 ' A' ' 159' ' ' LEU . 9.3 mt -105.92 128.47 53.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 75.049999999999997 110.84 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.444 ' CG2' ' CD2' ' A' ' 78' ' ' PHE . 5.4 m -107.25 135.63 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 51.310000000000002 111.276 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -109.62 117.65 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.139 -0.482 . . . . 71.430000000000007 111.146 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -105.67 174.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 63.409999999999997 110.993 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.33 -178.05 40.36 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.566 -0.826 . . . . 73.310000000000002 112.655 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.66 25.36 10.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.795 0.331 . . . . 72.430000000000007 111.219 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.62 110.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.654 -0.784 . . . . 70.519999999999996 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.91 -18.11 57.94 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 50.210000000000001 112.762 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 81' ' ' VAL . 29.4 m -60.8 -30.73 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 32.409999999999997 111.053 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.64 28.07 4.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 43.25 112.532 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -43.1 93.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 74.430000000000007 110.981 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -67.29 -32.21 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 54.25 110.904 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.658 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -63.5 -56.75 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 73.230000000000004 111.146 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.681 HD22 HG13 ' A' ' 152' ' ' VAL . 76.8 mt -56.16 -39.54 72.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 73.129999999999995 111.03 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.558 HG23 HG21 ' A' ' 55' ' ' ILE . 61.1 m -61.19 -61.42 2.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 71.319999999999993 110.724 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.4 mm -59.87 -31.09 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 73.340000000000003 110.957 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -59.22 -49.53 77.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 43.009999999999998 110.918 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.1 tp -70.23 -46.19 64.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 73.219999999999999 110.941 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.5 mm -59.62 -62.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 75.329999999999998 111.155 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 44.5 mt-30 -104.58 -99.47 0.32 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.445 -0.343 . . . . 64.109999999999999 111.063 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 8.2 p30 . . . . . 0 N--CA 1.465 0.297 0 CA-C-O 120.751 0.31 . . . . 73.519999999999996 110.694 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.88 0.371 . . . . 61.109999999999999 110.883 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -140.41 130.09 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 75.230000000000004 110.72 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -119.16 149.56 41.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.25 110.915 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.441 ' HG3' HD22 ' A' ' 52' ' ' LEU . 28.7 tt0 -101.63 118.71 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 75.540000000000006 110.691 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.411 HG21 HD11 ' A' ' 53' ' ' LEU . 35.9 m -129.5 -178.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 50.329999999999998 111.096 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 t -122.5 101.45 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 61.310000000000002 111.185 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.547 HG13 HG11 ' A' ' 160' ' ' VAL . 11.7 mm -82.54 100.97 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 70.140000000000001 111.023 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t70 59.35 35.96 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.329999999999998 111.031 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.49 -25.34 25.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.655 -0.783 . . . . 63.549999999999997 112.581 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.98 115.33 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 62.32 110.916 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.2 m -76.41 122.29 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 70.120000000000005 110.876 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.3 m -150.33 146.89 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.099999999999994 110.859 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.68 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.5 OUTLIER -78.99 146.08 33.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.040000000000006 110.989 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD11 HG21 ' A' ' 44' ' ' VAL . 63.9 mt -123.66 90.24 3.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 73.019999999999996 110.741 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.05 94.71 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 71.239999999999995 111.063 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.558 HG21 HG23 ' A' ' 20' ' ' THR . 35.6 mm -81.19 112.2 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.140000000000001 110.906 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.695 HD23 ' C ' ' A' ' 56' ' ' LEU . 3.9 tt -95.67 123.94 39.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 71.129999999999995 110.787 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -92.2 121.38 33.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 71.310000000000002 110.702 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.03 178.88 5.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 70.150000000000006 110.796 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 65.109999999999999 111.129 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mtm . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.703 0.287 . . . . 74.310000000000002 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -58.19 -24.3 58.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.451 -0.34 . . . . 72.519999999999996 111.09 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.98 -37.38 26.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 65.120000000000005 111.177 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.714 ' O ' HG23 ' A' ' 74' ' ' THR . 3.0 pt20 -62.36 -36.91 83.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.351 -0.386 . . . . 70.209999999999994 111.006 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -36.27 67.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 60.100000000000001 110.726 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.555 ' CB ' HG11 ' A' ' 103' ' ' VAL . 1.1 mtt -68.21 -38.12 81.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 62.509999999999998 110.671 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.417 ' HG2' HG13 ' A' ' 103' ' ' VAL . 1.2 mmt180 -70.61 -11.61 61.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.299999999999997 111.144 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 70' ' ' GLN . 70.6 p -101.71 -15.45 16.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.771 0.32 . . . . 52.450000000000003 111.249 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.36 111.92 4.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.599 -0.81 . . . . 74.530000000000001 112.75 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.1 -28.62 64.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.825 0.345 . . . . 55.329999999999998 110.856 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.432 ' O ' HG22 ' A' ' 7' ' ' VAL . . . -141.16 176.42 21.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.799 -0.715 . . . . 25.129999999999999 112.324 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.48 ' CE1' HG23 ' A' ' 100' ' ' ILE . 77.0 m-85 -140.19 137.34 34.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 75.109999999999999 110.977 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.594 HD13 HD12 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -117.33 123.45 46.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 51.420000000000002 110.732 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.8 ' HB3' HD12 ' A' ' 93' ' ' ILE . 15.2 m -96.43 105.87 18.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 73.109999999999999 111.027 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.428 ' O ' HG21 ' A' ' 14' ' ' VAL . 46.6 t -97.07 106.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 111.037 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.446 ' CD1' HD11 ' A' ' 113' ' ' LEU . 2.6 p90 -122.93 146.8 47.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 70.349999999999994 110.688 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 123.53 35.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 62.140000000000001 111.199 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.619 HD13 ' HD2' ' A' ' 123' ' ' ARG . 1.2 pp -62.21 -24.28 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 71.030000000000001 111.059 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.657 ' OD1' ' HB3' ' A' ' 122' ' ' ALA . 26.7 t30 -81.76 -16.56 50.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 54.100000000000001 111.152 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -118.58 100.22 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.791 0.329 . . . . 74.150000000000006 110.813 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.85 -31.92 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 33.340000000000003 110.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -53.52 -39.24 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 70.150000000000006 110.847 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.6 p -60.18 -43.87 95.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 74.329999999999998 110.506 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -59.09 -27.67 65.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 55.549999999999997 110.591 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.01 -34.76 66.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 71.430000000000007 110.714 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 11.1 m-20 -76.23 -31.36 58.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 75.109999999999999 110.989 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.8 HD12 ' HB3' ' A' ' 80' ' ' CYS . 29.9 mm -59.72 -31.7 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.445 -0.343 . . . . 75.430000000000007 110.714 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -70.91 -55.36 8.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 75.140000000000001 110.971 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -67.38 -28.75 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 74.329999999999998 111.037 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 3.2 m-85 -68.23 -49.7 58.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.388 -0.369 . . . . 65.230000000000004 110.695 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.574 HH22 HD22 ' A' ' 113' ' ' LEU . 1.8 tpp180 -52.32 -38.21 57.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 73.299999999999997 111.127 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.27 -36.29 77.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 62.32 110.906 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.492 ' HB3' ' HE3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -60.68 -36.81 79.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 75.230000000000004 110.898 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.513 ' CG2' HG21 ' A' ' 109' ' ' VAL . 20.0 mt -70.22 -40.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.329999999999998 111.081 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.664 ' HZ2' HG22 ' A' ' 109' ' ' VAL . 35.5 mmtt -55.77 -40.01 72.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 71.150000000000006 111.108 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -65.25 -55.66 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 70.540000000000006 110.747 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.555 HG11 ' CB ' ' A' ' 72' ' ' MET . 51.4 t -55.94 -52.86 44.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 74.409999999999997 111.088 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.08 -18.49 61.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 63.219999999999999 110.851 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.2 t0 62.6 31.88 16.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.947 0.403 . . . . 74.319999999999993 110.745 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 p -158.42 135.5 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.982 -0.554 . . . . 61.32 110.765 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.8 -24.13 62.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 71.329999999999998 111.045 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -102.14 89.87 3.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 61.32 110.945 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.664 HG22 ' HZ2' ' A' ' 101' ' ' LYS . 16.0 m -118.41 151.43 49.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 70.340000000000003 111.092 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.03 104.7 1.24 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.595 2.197 . . . . 72.409999999999997 112.278 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.646 ' HG3' HG21 ' A' ' 139' ' ' ILE . 12.1 ptp -151.67 172.29 16.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 62.119999999999997 110.887 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.444 HG11 HD13 ' A' ' 142' ' ' ILE . 16.9 t -145.81 154.57 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 44.240000000000002 111.187 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.574 HD22 HH22 ' A' ' 97' ' ' ARG . 6.4 tp -112.15 108.83 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 63.210000000000001 110.764 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.981 HG22 ' HB1' ' A' ' 155' ' ' ALA . 14.1 t -94.71 126.08 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 71.430000000000007 111.221 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.64 72.59 0.77 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.819 -0.705 . . . . 70.439999999999998 112.495 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.531 HD21 ' HB2' ' A' ' 146' ' ' ALA . 4.0 t-20 -60.24 173.01 0.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 72.140000000000001 110.923 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.529 ' CA ' HD23 ' A' ' 120' ' ' LEU . 12.9 mttt 59.74 46.74 11.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.924 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.5 t -83.27 -29.0 28.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 71.340000000000003 110.983 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -76.42 -13.9 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 70.230000000000004 111.363 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.529 HD23 ' CA ' ' A' ' 117' ' ' LYS . 4.1 mm? -52.59 161.37 0.72 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.767 0.318 . . . . 63.450000000000003 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -107.01 27.46 8.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 73.030000000000001 111.446 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.657 ' HB3' ' OD1' ' A' ' 85' ' ' ASN . . . -145.81 63.3 1.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 21.210000000000001 111.139 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.619 ' HD2' HD13 ' A' ' 84' ' ' ILE . 5.6 mmm-85 -63.34 91.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 73.219999999999999 110.997 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.443 HG21 ' O ' ' A' ' 85' ' ' ASN . 21.8 p -79.52 -30.65 41.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 73.219999999999999 110.865 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.62 100.09 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.255 -0.429 . . . . 65.530000000000001 110.907 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.21 159.97 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 64.299999999999997 110.909 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -29.43 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 71.439999999999998 110.975 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.4 tpt85 -60.0 -47.78 84.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 72.329999999999998 110.913 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -65.04 -42.62 94.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 72.430000000000007 111.096 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.472 ' HB1' ' CE1' ' A' ' 141' ' ' TYR . . . -68.49 -37.33 80.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.37 . . . . 73.439999999999998 111.101 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -31.31 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 110.839 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.21 -35.92 82.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.420000000000002 110.797 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 137' ' ' TYR . 24.6 tp -75.83 -51.47 12.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 64.109999999999999 110.931 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.02 96.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 65.209999999999994 111.303 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -57.18 -34.72 68.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 62.329999999999998 111.14 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.6 t -73.16 -30.89 63.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 73.230000000000004 110.787 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.421 ' CE2' HD11 ' A' ' 133' ' ' LEU . 20.0 m-85 -84.91 -18.97 33.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 73.340000000000003 111.11 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.48 16.84 65.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.671 -0.776 . . . . 72.010000000000005 112.548 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.646 HG21 ' HG3' ' A' ' 111' ' ' MET . 25.5 pt -107.77 152.91 41.75 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 72.209999999999994 111.324 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.443 ' HG2' HG22 ' A' ' 112' ' ' VAL . 44.7 Cg_endo -68.32 167.41 22.29 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.556 2.171 . . . . 73.209999999999994 112.388 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.472 ' CE1' ' HB1' ' A' ' 130' ' ' ALA . 50.9 t80 -143.82 121.55 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.049999999999997 110.825 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.834 HD11 HG21 ' A' ' 158' ' ' THR . 5.2 mp -127.85 148.62 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.310000000000002 111.02 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -111.35 134.47 52.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 65.439999999999998 110.575 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 151' ' ' GLY . 12.2 p -145.15 -177.55 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.976 0.417 . . . . 71.230000000000004 111.267 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.6 p -149.42 124.57 10.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 72.120000000000005 110.633 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.658 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.83 -33.5 68.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 52.130000000000003 111.355 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -76.14 -52.42 10.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 75.310000000000002 111.102 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -24.36 40.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.31 -0.405 . . . . 62.43 111.248 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 64.88 58.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 74.310000000000002 110.709 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -111.74 126.11 54.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.523 . . . . 71.319999999999993 111.017 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 144' ' ' THR . . . 52.57 23.71 15.06 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.9 -0.667 . . . . 43.439999999999998 112.994 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.681 HG13 HD22 ' A' ' 19' ' ' LEU . 26.2 t -57.73 -54.91 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.884 0.373 . . . . 64.340000000000003 111.035 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.43 -25.44 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 71.310000000000002 110.948 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -56.39 22.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.417 . . . . 72.120000000000005 110.961 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.981 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -55.98 -38.45 70.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 60.32 111.153 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -66.69 -50.29 63.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 73.530000000000001 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -58.25 -31.34 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 75.109999999999999 111.006 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.834 HG21 HD11 ' A' ' 142' ' ' ILE . 77.4 m -58.31 -36.63 73.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 63.520000000000003 111.016 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.594 HD12 HD13 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -63.3 -46.87 84.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.530000000000001 110.976 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.547 HG11 HG13 ' A' ' 46' ' ' ILE . 13.7 t -55.48 -46.21 78.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.199 -0.455 . . . . 74.099999999999994 111.104 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -35.7 75.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 54.130000000000003 110.795 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.24 -53.53 29.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 73.140000000000001 110.963 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.441 ' CD1' HD22 ' A' ' 159' ' ' LEU . 79.7 mt -58.45 -38.29 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.168 -0.469 . . . . 70.439999999999998 111.265 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -56.75 -42.11 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 74.319999999999993 110.908 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -64.28 -39.21 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 70.340000000000003 110.816 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.183 -0.913 . . . . 70.409999999999997 110.797 179.912 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.6 ' SD ' HG22 ' A' ' 50' ' ' THR . 9.3 tpp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.003 0.43 . . . . 71.230000000000004 111.235 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.29 145.47 46.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.77 -0.65 . . . . 60.409999999999997 110.605 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -95.86 120.31 35.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 72.310000000000002 110.82 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.444 ' HB2' HD23 ' A' ' 53' ' ' LEU . 54.5 m-85 -111.21 103.12 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 73.129999999999995 110.986 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 94.26 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 70.219999999999999 110.618 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.545 HD12 HD11 ' A' ' 55' ' ' ILE . 50.6 mt -88.06 101.72 14.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 111.083 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.413 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 57.1 t -87.51 108.5 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.109999999999999 110.893 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.473 HG12 ' HG3' ' A' ' 16' ' ' LYS . 3.5 t -89.39 145.43 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 65.120000000000005 111.21 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 79' ' ' LEU . 19.3 m -129.51 157.36 42.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 73.129999999999995 110.965 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.49 154.31 19.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.574 -0.822 . . . . 60.109999999999999 112.648 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.765 ' HB2' ' CG ' ' A' ' 92' ' ' ASP . . . -72.85 -18.72 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.733 0.301 . . . . 72.439999999999998 111.438 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.431 ' O ' ' PB ' ' A' ' 219' ' ' GNP . . . 144.0 -58.12 0.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.829 -0.701 . . . . 73.200000000000003 112.343 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.85 26.08 8.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 72.430000000000007 112.428 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.544 HG12 ' HB3' ' A' ' 89' ' ' SER . 35.8 m -77.74 -19.37 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.685 0.279 . . . . 72.109999999999999 111.524 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.75 13.76 11.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 43.409999999999997 112.45 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HG3' HG12 ' A' ' 8' ' ' VAL . 2.6 ttmt -58.81 -52.57 65.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.896 0.379 . . . . 71.120000000000005 110.716 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -72.77 -25.43 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 53.350000000000001 110.963 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.22 -38.53 78.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.382 -0.372 . . . . 63.219999999999999 111.13 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.495 HD23 HG13 ' A' ' 152' ' ' VAL . 1.8 mt -70.91 -36.9 72.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 52.439999999999998 110.893 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.488 HG23 ' CG2' ' A' ' 55' ' ' ILE . 88.7 m -68.11 -55.4 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 73.109999999999999 110.825 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.7 mm -55.16 -31.24 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 53.350000000000001 110.927 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -74.66 -44.98 47.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 71.099999999999994 110.791 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -70.91 -11.32 60.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.996 -0.547 . . . . 63.229999999999997 111.17 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.1 mm -111.03 -71.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 73.129999999999995 111.317 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 3.2 mt-30 -84.48 -25.63 28.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.120000000000005 111.373 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 65.11 74.64 0.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.828 0.347 . . . . 64.129999999999995 110.784 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' CD2' ' HB2' ' A' ' 25' ' ' GLN . 13.2 p80 -176.64 168.52 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 73.540000000000006 110.987 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.445 ' CZ ' " O2'" ' A' ' 219' ' ' GNP . 23.9 t80 -92.42 121.8 34.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 75.120000000000005 110.597 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.601 HG11 ' CE2' ' A' ' 32' ' ' TYR . 16.4 m -55.78 111.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.125 0.488 . . . . 73.040000000000006 111.447 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -113.6 -20.45 11.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.759 -0.655 . . . . 75.430000000000007 111.461 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -166.42 31.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.698 0.285 . . . . 65.319999999999993 111.179 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.601 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -78.65 163.24 25.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 64.510000000000005 110.983 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -56.06 133.59 74.38 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.996 -0.547 . . . . 74.510000000000005 110.95 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -74.34 84.22 1.57 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.554 2.169 . . . . 74.340000000000003 112.445 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.7 ' O ' HG23 ' A' ' 36' ' ' ILE . 4.3 t 62.74 130.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 73.209999999999994 110.971 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -164.87 166.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 51.43 111.216 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -82.97 0.02 46.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 111.512 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.23 64.34 0.25 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.896 0.379 . . . . 63.229999999999997 110.679 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.5 p -56.06 163.16 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 72.319999999999993 111.091 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -124.58 160.7 27.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 71.349999999999994 110.811 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.7 ptt85 -146.13 116.73 7.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.405 . . . . 51.240000000000002 110.857 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -108.93 148.15 31.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 63.100000000000001 110.998 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -101.72 120.36 40.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 71.319999999999993 110.601 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.37 -178.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 71.319999999999993 111.254 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' ' 45' ' ' VAL . 9.1 p -124.97 107.97 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.513 . . . . 73.540000000000006 111.089 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.884 HG13 HG11 ' A' ' 160' ' ' VAL . 12.5 mm -84.83 101.52 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 63.030000000000001 111.139 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.17 44.21 22.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 64.310000000000002 111.042 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.17 20.45 64.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 63.509999999999998 112.626 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -123.4 93.21 3.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.909 0.385 . . . . 60.350000000000001 110.871 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.6 HG22 ' SD ' ' A' ' 1' ' ' MET . 52.9 m -59.92 119.99 8.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 63.329999999999998 111.033 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.6 m -150.95 153.95 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 65.109999999999999 110.777 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.572 HD23 ' HG2' ' A' ' 1' ' ' MET . 0.5 OUTLIER -82.79 147.01 28.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 71.239999999999995 111.047 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 4' ' ' TYR . 42.2 mt -126.81 94.15 3.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.310000000000002 110.725 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.93 91.22 8.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 71.040000000000006 111.181 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 55' ' ' ILE . 1.7 mp -83.85 113.44 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 62.539999999999999 110.632 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.65 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -91.07 122.66 33.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 73.439999999999998 110.733 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -104.06 104.3 14.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 74.549999999999997 110.736 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.65 HG22 HD21 ' A' ' 56' ' ' LEU . 3.1 p -85.74 -173.78 4.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 73.540000000000006 110.97 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.54 162.78 16.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 74.519999999999996 111.261 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.06 86.78 1.1 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.408 -0.901 . . . . 62.210000000000001 112.435 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 45.14 70.5 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 74.299999999999997 111.643 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -122.93 38.98 4.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 72.540000000000006 111.044 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 56.46 87.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.872 -0.603 . . . . 73.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.15 34.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 65.400000000000006 110.852 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -27.95 63.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 51.43 111.052 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.18 -40.27 77.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.353 -0.385 . . . . 34.399999999999999 111.241 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.3 mmt -79.11 -27.03 42.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 44.32 110.955 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -31.61 62.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 51.420000000000002 110.987 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.27 -28.4 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.329999999999998 110.866 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -74.81 -39.66 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 72.409999999999997 110.915 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.59 -53.68 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 51.149999999999999 111.075 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.3 mtt -52.04 -43.52 63.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.267 -0.424 . . . . 64.519999999999996 110.988 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.44 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 73.0 mtp180 -67.18 -21.2 65.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 73.010000000000005 111.0 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.9 p -105.13 -0.97 26.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 72.420000000000002 111.494 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.413 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -89.87 129.72 9.85 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.5 -0.857 . . . . 73.019999999999996 112.866 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 40.3 mm-40 -74.49 -22.3 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 62.32 110.804 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.443 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -160.28 171.31 36.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.987 -0.625 . . . . 55.32 112.245 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CE2' HG23 ' A' ' 100' ' ' ILE . 90.8 m-85 -135.25 139.9 44.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 64.540000000000006 111.027 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.729 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -117.6 120.63 38.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.239999999999995 110.833 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.41 ' HB3' HD12 ' A' ' 93' ' ' ILE . 5.6 m -91.03 112.91 25.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 74.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.475 ' O ' HD11 ' A' ' 93' ' ' ILE . 42.3 t -101.01 121.06 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 63.219999999999999 111.064 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.65 147.88 52.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.349999999999994 110.791 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.75 123.68 40.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 62.009999999999998 110.937 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' A' ' 123' ' ' ARG . 6.8 pt -61.12 -26.69 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.329999999999998 110.963 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.652 ' OD1' HD12 ' A' ' 120' ' ' LEU . 0.6 OUTLIER -87.44 -26.13 23.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.966 -0.561 . . . . 73.209999999999994 110.964 -179.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -103.4 110.18 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.38 -0.373 . . . . 73.430000000000007 110.937 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -71.61 -22.3 61.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 73.409999999999997 110.973 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -59.17 -41.04 87.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.857 0.36 . . . . 72.049999999999997 110.584 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.544 ' HB3' HG12 ' A' ' 14' ' ' VAL . 56.1 p -59.42 -47.38 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.027 -0.533 . . . . 64.129999999999995 110.613 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.44 ' CE2' ' HG2' ' A' ' 129' ' ' GLN . 43.5 t80 -56.72 -23.2 40.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.999 -0.546 . . . . 63.210000000000001 110.806 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -79.26 -52.32 8.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 72.409999999999997 111.072 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.765 ' CG ' ' HB2' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -69.97 -31.23 68.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 44.310000000000002 111.131 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.475 HD11 ' O ' ' A' ' 81' ' ' VAL . 11.9 mm -61.6 -26.83 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 120.806 0.336 . . . . 53.32 110.737 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -73.55 -55.41 6.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.218 -0.447 . . . . 64.450000000000003 110.628 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -66.18 -28.48 68.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 70.140000000000001 110.975 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -56.93 -44.23 82.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 72.540000000000006 110.934 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.473 ' HA ' HD12 ' A' ' 100' ' ' ILE . 7.6 ttt85 -59.8 -39.91 86.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 72.319999999999993 110.999 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.94 -32.8 68.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.310000000000002 111.035 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -36.1 82.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.417 . . . . 73.420000000000002 110.79 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.564 HG23 ' CE2' ' A' ' 78' ' ' PHE . 30.9 mt -67.63 -48.82 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 74.439999999999998 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -55.38 -29.63 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 74.439999999999998 111.018 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -71.24 -58.73 3.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 75.230000000000004 110.806 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 41.0 t -58.1 -58.97 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 74.450000000000003 110.94 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -59.85 -23.7 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 71.430000000000007 110.805 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.7 t70 62.62 45.96 5.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.268 -0.423 . . . . 70.030000000000001 110.757 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.73 141.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.319999999999993 110.867 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.55 -31.45 68.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 74.420000000000002 110.811 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -78.9 97.4 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 63.039999999999999 110.737 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.528 HG13 ' HD2' ' A' ' 110' ' ' PRO . 49.6 t -136.59 136.47 21.94 Favored Pre-proline 0 N--CA 1.452 -0.375 0 CA-C-N 116.188 -0.46 . . . . 54.420000000000002 110.925 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.528 ' HD2' HG13 ' A' ' 109' ' ' VAL . 57.3 Cg_endo -71.72 108.01 2.32 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.834 2.356 . . . . 64.409999999999997 112.207 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.846 ' HG3' HG21 ' A' ' 139' ' ' ILE . 13.8 ptp -150.67 169.89 20.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 73.25 110.883 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.74 HG23 HD22 ' A' ' 159' ' ' LEU . 48.9 t -145.25 145.87 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 73.129999999999995 111.138 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.96 113.48 26.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 74.129999999999995 110.712 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.643 HG21 ' HB1' ' A' ' 155' ' ' ALA . 21.9 t -107.05 147.61 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 33.119999999999997 111.321 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.42 83.63 0.33 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.878 -0.677 . . . . 73.239999999999995 112.422 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -64.94 171.06 3.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.824 0.345 . . . . 63.420000000000002 111.001 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.56 47.46 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 75.510000000000005 110.815 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.56 16.61 13.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 61.200000000000003 111.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -110.48 -30.11 7.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.745 0.307 . . . . 71.420000000000002 111.017 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.652 HD12 ' OD1' ' A' ' 85' ' ' ASN . 15.5 mt -49.23 162.67 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.437 . . . . 73.519999999999996 111.149 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -111.26 26.68 10.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 60.100000000000001 111.508 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.21 66.64 1.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 50.219999999999999 111.205 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.615 ' HB3' HD12 ' A' ' 84' ' ' ILE . 8.6 ptp85 -84.08 140.71 31.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 72.109999999999999 111.05 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.1 p -108.38 -43.9 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 74.310000000000002 110.783 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.428 HG13 ' HB3' ' A' ' 129' ' ' GLN . 98.4 t -92.83 106.91 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 33.340000000000003 110.876 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.77 163.82 23.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.019999999999996 110.861 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.3 p -56.97 -29.33 63.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 63.43 111.094 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 32.3 tpt85 -56.0 -53.99 50.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 72.540000000000006 110.851 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.44 ' HG2' ' CE2' ' A' ' 90' ' ' PHE . 2.8 tt0 -61.0 -46.6 90.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.061 -0.518 . . . . 64.420000000000002 110.931 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.92 69.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 62.210000000000001 111.186 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -33.08 62.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 63.450000000000003 111.021 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -54.23 -47.28 72.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 65.540000000000006 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.5 mt -67.12 -47.47 71.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 72.010000000000005 111.145 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -64.86 -32.41 74.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.418 . . . . 62.130000000000003 111.034 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -33.64 33.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.644 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.6 t -77.74 -33.06 53.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 51.130000000000003 110.713 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.507 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.9 m-85 -88.25 -14.41 38.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.037 -0.529 . . . . 64.239999999999995 111.147 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.47 21.32 72.85 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.676 -0.773 . . . . 50.539999999999999 112.576 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.846 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.9 pt -110.34 156.63 39.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 72.310000000000002 111.577 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.609 ' HG2' HG13 ' A' ' 112' ' ' VAL . 53.9 Cg_endo -70.65 156.8 60.29 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.53 2.153 . . . . 75.430000000000007 112.355 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -127.51 117.0 21.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 75.239999999999995 110.784 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.896 HD11 HG21 ' A' ' 158' ' ' THR . 2.1 mp -121.09 152.59 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 71.310000000000002 110.925 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.17 130.24 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.409 . . . . 45.5 110.899 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 151' ' ' GLY . 30.5 p -142.39 176.06 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.439999999999998 110.943 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 p -148.14 121.47 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.530000000000001 110.815 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.532 ' HB3' ' N7 ' ' A' ' 219' ' ' GNP . . . -71.28 -24.26 62.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 34.409999999999997 111.515 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -77.06 -57.21 3.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.424 -0.353 . . . . 73.239999999999995 111.219 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 40.8 p -83.74 -23.42 31.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 55.310000000000002 111.398 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 68.02 64.06 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.99 0.424 . . . . 71.340000000000003 110.805 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -113.15 120.27 40.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.029 -0.532 . . . . 73.319999999999993 110.957 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.491 ' O ' HG22 ' A' ' 144' ' ' THR . . . 54.75 27.29 42.81 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.855 -0.688 . . . . 71.519999999999996 112.739 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.495 HG13 HD23 ' A' ' 19' ' ' LEU . 25.7 t -56.34 -56.09 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 65.530000000000001 111.236 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -64.93 -27.48 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.109999999999999 110.944 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -35.47 71.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 63.119999999999997 110.868 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.643 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -72.2 -43.71 64.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 55.520000000000003 111.094 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -64.24 -49.41 72.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 74.430000000000007 110.92 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -52.61 -40.45 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 73.409999999999997 111.375 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.896 HG21 HD11 ' A' ' 142' ' ' ILE . 7.2 m -54.75 -37.43 65.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.853 0.359 . . . . 72.329999999999998 111.005 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.74 HD22 HG23 ' A' ' 112' ' ' VAL . 0.4 OUTLIER -57.41 -47.08 82.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 75.549999999999997 110.699 179.572 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.884 HG11 HG13 ' A' ' 46' ' ' ILE . 8.1 t -56.35 -34.46 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 51.240000000000002 111.002 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -65.86 -48.46 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 70.340000000000003 110.907 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.31 -47.25 82.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 73.010000000000005 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 40.7 mt -58.99 -57.42 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.165 -0.471 . . . . 72.319999999999993 110.931 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -40.61 27.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.867 -0.606 . . . . 73.439999999999998 111.141 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -59.54 -33.87 71.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 61.530000000000001 110.824 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.256 -0.878 . . . . 72.0 110.888 179.941 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.806 ' O2A' " H3'" ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.843 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.797 0.332 . . . . 73.140000000000001 111.14 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -103.1 149.76 24.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 65.349999999999994 110.875 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -102.83 107.14 17.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 74.239999999999995 110.746 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -97.08 146.19 25.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 54.200000000000003 110.961 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.8 100.55 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.540000000000006 110.729 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.654 HD12 ' CD1' ' A' ' 55' ' ' ILE . 15.2 mt -97.93 123.73 42.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 74.109999999999999 111.178 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.427 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 94.1 t -105.15 102.23 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.807 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.42 ' CG1' ' HG2' ' A' ' 16' ' ' LYS . 6.0 t -85.75 132.91 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 25.43 111.199 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 79' ' ' LEU . 6.2 m -109.64 168.85 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 62.450000000000003 111.082 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.65 149.93 21.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 73.010000000000005 112.529 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.87 10.42 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.635 0.255 . . . . 75.530000000000001 111.534 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.56 58.02 2.0 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.615 -0.802 . . . . 70.439999999999998 112.687 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.481 ' N ' ' O1G' ' A' ' 219' ' ' GNP . . . 127.38 43.23 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 44.530000000000001 112.547 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 81' ' ' VAL . 35.3 m -119.06 -6.35 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 111.764 0.283 . . . . 64.120000000000005 111.764 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.9 21.14 40.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 65.430000000000007 112.553 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HG2' ' CG1' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -59.94 -58.39 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 75.299999999999997 110.787 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.63 -30.87 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 72.319999999999993 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.648 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -68.05 -50.92 52.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 73.540000000000006 111.039 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.658 ' CD2' HG13 ' A' ' 152' ' ' VAL . 17.1 mt -53.64 -43.72 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 74.519999999999996 110.942 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.668 HG21 ' HB2' ' A' ' 57' ' ' ASP . 89.0 m -65.23 -52.37 55.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 62.210000000000001 110.74 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.6 -28.99 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.239999999999995 110.943 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -67.07 -38.39 85.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 74.450000000000003 110.894 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.76 -11.74 59.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 62.450000000000003 111.469 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.1 mm -114.27 -67.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.784 0.326 . . . . 64.420000000000002 111.411 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -80.78 -28.66 36.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.308 -0.405 . . . . 62.030000000000001 111.093 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.05 28.1 8.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.275 -0.421 . . . . 73.219999999999999 110.987 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -128.78 178.24 6.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.42 . . . . 75.430000000000007 110.572 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.482 ' CZ ' " O2'" ' A' ' 219' ' ' GNP . 4.0 t80 -96.66 116.64 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.468 -0.333 . . . . 75.200000000000003 110.72 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.4 m -56.61 127.73 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 72.400000000000006 111.29 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -150.1 23.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 62.219999999999999 111.07 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -173.63 76.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.193 -0.458 . . . . 74.340000000000003 110.883 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.439 ' CZ ' ' O ' ' A' ' 252' ' ' HOH . 41.3 p90 -136.7 176.28 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.043 -0.526 . . . . 73.409999999999997 110.921 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.55 150.79 76.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 74.209999999999994 110.978 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.74 126.76 15.88 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.699 2.266 . . . . 64.109999999999999 112.305 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.421 ' OG ' ' HB2' ' A' ' 59' ' ' ALA . 0.8 OUTLIER 56.74 91.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 51.130000000000003 111.019 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.4 -20.9 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 75.230000000000004 111.705 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 60.81 18.42 8.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.369 -0.378 . . . . 71.310000000000002 111.222 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -103.28 45.58 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.954 0.407 . . . . 53.109999999999999 110.418 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 81.7 p -54.05 -178.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.022 -0.536 . . . . 73.439999999999998 110.995 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.81 167.76 21.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 64.140000000000001 110.85 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.74 165.18 27.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 61.009999999999998 110.822 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tttt -149.27 145.81 27.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 73.019999999999996 110.858 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -108.31 119.4 39.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 70.430000000000007 110.928 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 46' ' ' ILE . 29.5 m -135.08 -178.47 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 70.109999999999999 111.079 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.2 101.59 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 63.399999999999999 111.101 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.744 ' CD1' HG21 ' A' ' 160' ' ' VAL . 17.4 mt -115.01 131.48 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 75.230000000000004 111.014 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 61.78 32.59 18.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 53.210000000000001 110.852 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.7 28.45 71.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.7 -0.762 . . . . 70.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -142.91 112.83 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 73.25 110.857 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -58.83 123.21 15.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 44.020000000000003 110.881 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.48 ' HB3' HG22 ' A' ' 2' ' ' THR . 64.2 m -144.06 145.31 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.906 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.843 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.5 OUTLIER -78.72 149.78 32.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 72.200000000000003 110.894 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.3 mt -126.7 82.36 2.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 74.230000000000004 110.873 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.11 95.95 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 60.020000000000003 110.965 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.656 ' CG2' HG23 ' A' ' 20' ' ' THR . 19.2 mm -79.63 108.43 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 62.130000000000003 110.959 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -84.23 118.96 24.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.230000000000004 111.035 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.668 ' HB2' HG21 ' A' ' 20' ' ' THR . 67.7 t0 -109.65 76.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.129999999999995 110.762 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.2 p -75.37 -176.46 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 40.020000000000003 111.06 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB2' ' OG ' ' A' ' 35' ' ' SER . . . -58.72 162.66 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.996 -0.547 . . . . 75.120000000000005 111.263 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.01 -6.93 55.39 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.881 -0.676 . . . . 61.509999999999998 112.994 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.412 ' NE2' ' CE1' ' A' ' 96' ' ' TYR . 13.7 mt-30 73.14 98.24 0.07 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.883 0.373 . . . . 64.430000000000007 110.886 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -158.78 113.85 2.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.053 -0.521 . . . . 75.219999999999999 110.785 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.49 29.42 18.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 54.130000000000003 110.959 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -138.16 177.27 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 50.340000000000003 110.867 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.28 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.965 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.58 -64.42 0.81 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.386 . . . . 71.400000000000006 111.332 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -60.04 -27.71 67.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 63.530000000000001 110.945 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -67.42 -30.73 70.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 71.150000000000006 110.995 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.08 -27.35 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 75.219999999999999 110.664 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -72.49 -38.75 68.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 63.130000000000003 110.698 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -75.89 -45.48 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 110.916 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.8 mtt -54.36 -50.81 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.417 . . . . 72.25 110.722 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.41 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 62.7 mtp180 -62.58 -27.62 69.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.966 -0.561 . . . . 62.43 111.043 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.8 p -98.2 18.07 17.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.067 -0.515 . . . . 75.209999999999994 111.351 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.86 125.93 6.77 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.428 -0.891 . . . . 63.299999999999997 112.617 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 3.7 mm-40 -68.98 -27.72 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.711 0.291 . . . . 75.219999999999999 110.829 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.27 -171.12 18.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.797 -0.716 . . . . 71.540000000000006 112.373 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.569 ' CE2' HG23 ' A' ' 100' ' ' ILE . 98.8 m-85 -147.18 145.08 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 51.329999999999998 111.055 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.004 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -125.89 122.79 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 73.530000000000001 110.813 179.793 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.757 ' HB3' HD12 ' A' ' 93' ' ' ILE . 23.8 m -97.85 119.88 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 110.862 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.479 ' O ' HG21 ' A' ' 14' ' ' VAL . 38.4 t -107.34 105.96 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.120000000000005 111.121 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD1' ' HA2' ' A' ' 115' ' ' GLY . 0.1 OUTLIER -113.19 156.92 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.120000000000005 110.693 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.85 125.15 50.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 71.430000000000007 111.161 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.814 HD12 ' HB3' ' A' ' 123' ' ' ARG . 2.8 pt -61.4 -28.92 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.329999999999998 110.701 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -83.33 -24.82 31.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 71.239999999999995 110.743 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -105.51 102.43 11.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 63.030000000000001 110.974 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.5 m -64.07 -29.8 70.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 73.099999999999994 110.912 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -56.48 -43.15 79.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 72.439999999999998 111.018 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.2 p -58.95 -47.5 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 70.25 110.797 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -57.04 -29.55 63.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 74.420000000000002 110.793 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -79.82 -40.51 28.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 61.350000000000001 110.844 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.406 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 1.1 m-20 -69.96 -31.18 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.757 HD12 ' HB3' ' A' ' 80' ' ' CYS . 8.3 mm -63.84 -29.56 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.301 -0.409 . . . . 73.439999999999998 110.541 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -69.93 -55.46 9.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 73.109999999999999 110.441 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -66.06 -28.3 68.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 73.420000000000002 110.882 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.412 ' CE1' ' NE2' ' A' ' 61' ' ' GLN . 2.0 m-85 -61.88 -42.18 98.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 74.420000000000002 110.923 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HA ' HD12 ' A' ' 100' ' ' ILE . 7.4 ttt85 -57.15 -36.38 70.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 54.310000000000002 111.007 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.06 -29.92 67.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 110.95 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -44.42 80.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.422 . . . . 62.130000000000003 110.905 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.569 HG23 ' CE2' ' A' ' 78' ' ' PHE . 12.7 mt -60.29 -52.34 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 64.219999999999999 110.917 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -52.33 -25.92 10.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 111.239 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -73.97 -58.52 3.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 73.319999999999993 110.813 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.41 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 38.3 t -59.45 -53.25 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 61.299999999999997 110.977 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -65.0 -25.83 68.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 74.400000000000006 110.893 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.5 t0 64.57 45.11 3.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.969 0.414 . . . . 73.150000000000006 110.778 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -171.61 156.78 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 61.229999999999997 110.911 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -84.95 -36.26 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 44.119999999999997 110.778 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.47 97.74 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 64.219999999999999 110.845 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.527 HG13 ' HD2' ' A' ' 110' ' ' PRO . 61.0 t -131.63 136.21 28.12 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.143 -0.48 . . . . 73.430000000000007 110.661 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.527 ' HD2' HG13 ' A' ' 109' ' ' VAL . 57.3 Cg_endo -72.22 102.62 1.39 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.826 2.351 . . . . 45.5 112.322 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.567 ' HE2' HD13 ' A' ' 100' ' ' ILE . 18.2 ptp -147.05 168.96 20.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 60.119999999999997 110.918 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.615 HG23 HD22 ' A' ' 159' ' ' LEU . 48.3 t -143.52 144.48 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.09 -0.505 . . . . 61.530000000000001 111.159 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 114' ' ' VAL . 5.8 tp -107.31 125.97 51.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 74.329999999999998 110.662 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.619 ' N ' HD12 ' A' ' 113' ' ' LEU . 21.2 t -113.24 144.57 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 72.439999999999998 111.229 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.416 ' HA2' ' CD1' ' A' ' 82' ' ' PHE . . . -108.05 72.42 0.21 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.791 -0.719 . . . . 62.229999999999997 112.272 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.515 HD21 ' HB2' ' A' ' 146' ' ' ALA . 0.9 OUTLIER -55.41 172.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 64.439999999999998 111.129 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.805 ' CG ' HD12 ' A' ' 120' ' ' LEU . 0.0 OUTLIER 68.38 45.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 61.409999999999997 111.063 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.6 p -89.84 9.16 28.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 74.409999999999997 111.277 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -106.2 -37.1 6.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.8 0.333 . . . . 75.030000000000001 110.76 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.805 HD12 ' CG ' ' A' ' 117' ' ' LYS . 26.2 mt -55.62 137.14 49.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.450000000000003 110.97 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.57 39.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 72.310000000000002 111.217 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.48 34.56 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 54.329999999999998 111.001 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.814 ' HB3' HD12 ' A' ' 84' ' ' ILE . 7.8 ptp85 -54.48 144.73 20.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.405 . . . . 72.349999999999994 111.12 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 34.7 p -112.94 -43.37 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 70.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.39 102.66 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 72.239999999999995 110.906 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -56.72 162.97 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 75.049999999999997 111.057 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.7 m -58.48 -42.56 87.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 51.219999999999999 111.018 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -54.81 -48.29 72.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 72.010000000000005 110.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -62.19 -35.9 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 75.329999999999998 110.985 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.34 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 34.030000000000001 111.204 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.63 -35.37 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 74.319999999999993 110.992 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -58.41 -37.11 74.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 74.120000000000005 110.957 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.2 tp -74.77 -51.1 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.530000000000001 110.87 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.42 98.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.010000000000005 111.121 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -59.09 -30.75 68.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 72.129999999999995 111.02 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -39.7 64.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 71.329999999999998 110.67 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.41 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 20.5 m-85 -70.83 -21.45 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 74.230000000000004 111.094 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.58 16.93 65.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 71.230000000000004 112.524 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.512 HD13 ' HG3' ' A' ' 111' ' ' MET . 6.2 pt -112.54 157.2 40.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.672 0.272 . . . . 72.040000000000006 111.51 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HG2' HG13 ' A' ' 112' ' ' VAL . 43.2 Cg_endo -68.35 163.97 34.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.644 2.229 . . . . 73.030000000000001 112.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -137.87 118.4 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 74.519999999999996 110.898 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.922 HD11 HG21 ' A' ' 158' ' ' THR . 3.2 mp -117.53 154.34 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 63.340000000000003 111.035 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.412 ' N ' HG22 ' A' ' 142' ' ' ILE . 0.9 OUTLIER -116.4 130.35 56.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 61.539999999999999 110.723 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.1 p -145.05 -174.34 4.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 53.420000000000002 111.25 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.1 p -151.99 123.71 7.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.983 -0.553 . . . . 72.019999999999996 110.751 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.648 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.77 -27.66 63.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.219999999999999 111.511 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -79.33 -56.97 3.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.353 -0.385 . . . . 70.120000000000005 111.206 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 p -79.69 -22.48 43.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.206 -0.452 . . . . 62.32 111.124 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.99 60.35 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.994 0.426 . . . . 75.510000000000005 110.78 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.37 124.32 50.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.918 -0.583 . . . . 62.229999999999997 110.798 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 53.72 24.86 27.22 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.763 -0.732 . . . . 60.32 112.764 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.658 HG13 ' CD2' ' A' ' 19' ' ' LEU . 98.0 t -54.37 -56.02 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-O 120.819 0.342 . . . . 61.439999999999998 111.245 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 2.2 mp0 -66.0 -25.96 67.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 72.109999999999999 110.791 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -40.12 80.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 52.119999999999997 110.94 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.593 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -66.83 -49.05 66.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 62.299999999999997 111.07 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -61.4 -44.68 96.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 74.230000000000004 110.907 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.3 m-85 -56.12 -34.47 66.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 61.229999999999997 111.072 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.922 HG21 HD11 ' A' ' 142' ' ' ILE . 88.0 m -61.02 -38.4 85.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 65.310000000000002 110.872 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 1.004 HD23 HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -54.92 -39.45 68.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 64.230000000000004 111.004 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.744 HG21 ' CD1' ' A' ' 46' ' ' ILE . 21.6 t -61.53 -47.51 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 71.120000000000005 111.071 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -60.8 -27.1 67.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 71.439999999999998 110.993 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -74.36 -48.01 30.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 70.349999999999994 111.015 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.451 HG12 ' HB2' ' A' ' 110' ' ' PRO . 34.3 mt -65.64 -36.91 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.231 -0.44 . . . . 70.209999999999994 111.13 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.23 -26.73 68.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 74.549999999999997 111.334 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -96.46 -23.24 16.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.532 -0.304 . . . . 74.510000000000005 111.362 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.418 -0.801 . . . . 71.239999999999995 111.136 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.682 ' N3B' ' O1A' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . 0.439 ' O ' ' CZ ' ' A' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.407 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.786 0.327 . . . . 75.409999999999997 111.188 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 t -85.97 149.76 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.310000000000002 110.948 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.66 130.19 54.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 74.230000000000004 110.877 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -129.3 124.24 33.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 110.968 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.51 99.35 12.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 74.209999999999994 110.772 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.542 ' HB2' HD13 ' A' ' 55' ' ' ILE . 3.9 mm? -82.59 104.78 13.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 72.420000000000002 111.144 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.8 t -94.43 102.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 63.450000000000003 110.98 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.4 t -93.46 139.29 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 75.25 111.108 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.2 m -121.12 179.67 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 65.5 110.928 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.32 174.01 38.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.59 -0.814 . . . . 54.439999999999998 112.561 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.503 ' HB2' ' CG ' ' A' ' 92' ' ' ASP . . . -112.54 21.07 16.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.676 0.274 . . . . 73.340000000000003 111.286 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.412 ' O ' ' O1B' ' A' ' 219' ' ' GNP . . . 99.15 -77.4 0.52 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.607 -0.806 . . . . 53.409999999999997 112.658 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.22 50.76 3.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.882 -0.675 . . . . 64.319999999999993 112.894 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG12 ' HB3' ' A' ' 89' ' ' SER . 33.0 m -119.16 -4.86 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.614 0.227 . . . . 72.430000000000007 111.614 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.05 25.2 71.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.64 -0.79 . . . . 70.209999999999994 112.364 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' CD ' ' O ' ' A' ' 252' ' ' HOH . 0.0 OUTLIER -65.45 -37.97 88.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 72.349999999999994 110.99 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 p -75.53 -30.15 59.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.340000000000003 110.861 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.791 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -57.2 -51.21 70.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 63.520000000000003 111.184 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' CD2' HG13 ' A' ' 152' ' ' VAL . 38.7 mt -58.88 -37.29 76.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 73.329999999999998 110.919 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.619 HG23 ' CG2' ' A' ' 55' ' ' ILE . 88.2 m -59.12 -55.89 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 73.510000000000005 110.744 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.698 HG21 ' CE1' ' A' ' 27' ' ' HIS . 30.6 mm -68.88 -28.05 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 72.209999999999994 110.969 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.428 ' HB3' HG11 ' A' ' 152' ' ' VAL . 1.0 OUTLIER -58.18 -37.62 75.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 65.310000000000002 110.945 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.0 tp -76.04 -47.55 24.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 45.5 110.98 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mm -72.14 -65.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 75.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.591 ' O ' HG22 ' A' ' 21' ' ' ILE . 12.7 mt-30 -130.1 93.71 3.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 73.310000000000002 110.531 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -62.83 76.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 71.349999999999994 111.249 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.698 ' CE1' HG21 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -128.29 -10.99 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 74.420000000000002 111.611 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.405 ' CZ ' " O2'" ' A' ' 219' ' ' GNP . 6.7 t80 75.46 132.94 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.511 -0.313 . . . . 63.310000000000002 110.623 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.545 HG13 ' CD1' ' A' ' 32' ' ' TYR . 25.3 t -55.01 145.09 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.05 0.452 . . . . 63.049999999999997 111.182 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 25.8 t70 176.31 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.73 -0.668 . . . . 60.149999999999999 110.515 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -129.28 80.11 1.95 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 75.519999999999996 110.975 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.545 ' CD1' HG13 ' A' ' 29' ' ' VAL . 14.0 p90 -139.68 171.69 13.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 75.129999999999995 110.82 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.651 ' HB3' HG21 ' A' ' 36' ' ' ILE . 12.4 t70 -90.14 137.68 27.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 63.549999999999997 110.793 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.49 121.4 7.69 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.498 2.132 . . . . 74.329999999999998 112.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 59.59 96.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 74.340000000000003 110.843 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.651 HG21 ' HB3' ' A' ' 33' ' ' ASP . 1.2 pp -145.89 152.44 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 34.530000000000001 111.122 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -109.7 23.83 13.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.972 -0.558 . . . . 63.439999999999998 111.131 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -80.77 58.66 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.398 . . . . 61.420000000000002 110.74 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.0 t -55.38 141.47 36.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 71.030000000000001 111.082 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -93.37 164.51 13.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 64.409999999999997 110.888 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -135.64 112.58 10.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 74.209999999999994 110.927 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.15 146.31 40.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.031 0.443 . . . . 74.230000000000004 110.914 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -108.37 127.06 53.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.911 -0.586 . . . . 75.430000000000007 110.893 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 53' ' ' LEU . 28.1 m -132.85 -179.5 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 72.099999999999994 111.087 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.1 t -124.19 100.79 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 75.019999999999996 111.072 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.882 HG13 HG11 ' A' ' 160' ' ' VAL . 12.6 mm -86.12 99.74 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 73.109999999999999 111.05 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 61.42 53.49 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 72.400000000000006 110.842 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.23 27.99 73.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 23.32 112.536 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -136.74 106.61 6.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 73.209999999999994 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.2 m -61.31 143.46 55.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 52.109999999999999 110.935 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -159.72 142.73 14.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 33.329999999999998 111.019 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.407 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -82.04 134.8 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 73.120000000000005 110.695 179.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.537 HD11 HG21 ' A' ' 44' ' ' VAL . 79.9 mt -121.68 109.26 14.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 52.119999999999997 110.899 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -100.97 97.78 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.109999999999999 110.834 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.619 ' CG2' HG23 ' A' ' 20' ' ' THR . 11.7 mm -85.96 112.28 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 62.539999999999999 111.076 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.407 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -90.24 129.35 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 73.019999999999996 110.633 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' HB3' HG21 ' A' ' 20' ' ' THR . 13.5 p-10 -108.78 104.79 14.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 74.319999999999993 110.627 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.407 HG22 HD21 ' A' ' 56' ' ' LEU . 11.2 p -75.38 -173.71 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 51.32 110.84 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 63' ' ' GLU . . . -91.44 161.42 14.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 32.299999999999997 111.077 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.59 -28.93 3.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.785 -0.722 . . . . 74.200000000000003 112.495 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -109.7 -65.62 1.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 74.349999999999994 110.819 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -61.28 -156.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 73.230000000000004 110.531 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.734 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 3.2 mm-40 -43.88 142.43 1.34 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.782 0.325 . . . . 73.019999999999996 111.37 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.523 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -143.84 -86.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 71.409999999999997 111.036 -179.817 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.91 -29.25 41.27 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.715 0.293 . . . . 44.200000000000003 111.028 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.09 -59.64 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.4 -0.364 . . . . 43.420000000000002 110.901 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.2 mtm -79.7 -22.73 43.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 71.319999999999993 110.831 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -55.82 -32.23 63.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 75.329999999999998 111.032 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.2 -30.99 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 45.009999999999998 110.637 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -68.0 -40.84 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 63.329999999999998 110.661 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -70.33 -32.02 69.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 61.109999999999999 111.037 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.657 ' CB ' HG11 ' A' ' 103' ' ' VAL . 1.1 mtt -61.19 -53.35 58.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 74.409999999999997 110.854 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.67 ' HG2' HG13 ' A' ' 103' ' ' VAL . 19.2 mtm105 -60.59 -22.95 64.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 64.540000000000006 110.929 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.1 p -109.55 19.2 19.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 62.32 111.254 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.49 154.47 16.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.579 -0.82 . . . . 71.439999999999998 112.652 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.56 4.54 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.687 0.28 . . . . 72.549999999999997 111.369 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.26 165.68 36.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.679 -0.772 . . . . 74.219999999999999 112.555 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.612 ' CE2' HG23 ' A' ' 100' ' ' ILE . 68.1 m-85 -140.37 144.22 36.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 72.209999999999994 110.955 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.753 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -125.0 120.33 31.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 65.340000000000003 110.887 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.81 ' HB3' HD12 ' A' ' 93' ' ' ILE . 33.1 m -92.31 115.28 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 70.219999999999999 110.929 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.08 114.58 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.010000000000005 111.026 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.432 ' HB3' HG13 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -121.84 148.89 44.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 74.299999999999997 110.728 179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 86' ' ' ASN . . . -96.39 127.89 42.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 64.400000000000006 111.072 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' A' ' 123' ' ' ARG . 3.1 pt -59.07 -29.06 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 72.540000000000006 111.044 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 122' ' ' ALA . 45.4 t30 -86.31 -25.41 25.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.854 -0.612 . . . . 73.219999999999999 111.011 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -101.02 96.5 7.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.359 -0.382 . . . . 62.130000000000003 110.859 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.4 m -62.31 -27.2 68.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 73.450000000000003 111.006 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -58.29 -36.39 73.24 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.886 0.374 . . . . 75.040000000000006 110.499 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.667 ' HB3' HG12 ' A' ' 14' ' ' VAL . 60.1 p -62.29 -51.37 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 71.319999999999993 110.49 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.416 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 76.2 t80 -55.22 -25.65 34.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.546 . . . . 74.430000000000007 110.961 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.9 -56.51 4.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 60.039999999999999 111.122 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.503 ' CG ' ' HB2' ' A' ' 11' ' ' ALA . 1.2 p30 -63.67 -33.41 75.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 75.5 111.176 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.81 HD12 ' HB3' ' A' ' 80' ' ' CYS . 14.9 mm -60.13 -26.26 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 116.486 -0.325 . . . . 73.329999999999998 110.919 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -74.98 -55.39 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 55.439999999999998 110.611 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -66.8 -28.4 68.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.967 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -57.04 -37.14 71.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 75.019999999999996 110.904 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.456 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.8 OUTLIER -58.43 -39.28 79.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.574 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -54.2 -32.25 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 72.340000000000003 110.971 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -40.39 95.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 65.129999999999995 110.729 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.612 HG23 ' CE2' ' A' ' 78' ' ' PHE . 9.9 mt -70.22 -34.1 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 64.129999999999995 110.99 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.524 ' HZ3' HG22 ' A' ' 109' ' ' VAL . 3.5 mmpt? -61.59 -35.4 77.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 71.219999999999999 110.896 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -74.52 -58.72 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.120000000000005 110.864 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.67 HG13 ' HG2' ' A' ' 73' ' ' ARG . 45.8 t -55.09 -57.56 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 64.239999999999995 111.102 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -66.02 -27.0 67.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 51.240000000000002 110.912 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.2 t70 62.33 47.19 5.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 71.239999999999995 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.68 139.31 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 71.299999999999997 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -71.33 -33.52 69.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 75.5 110.921 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -94.83 92.37 6.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.120000000000005 110.939 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.524 HG22 ' HZ3' ' A' ' 101' ' ' LYS . 24.6 m -121.1 152.63 57.11 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 61.43 111.013 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.31 102.9 1.43 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.614 2.21 . . . . 41.32 112.271 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.602 ' HE2' HD13 ' A' ' 100' ' ' ILE . 9.0 ptp -154.69 166.43 33.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.381 . . . . 63.439999999999998 111.098 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.696 HG13 ' HG2' ' A' ' 140' ' ' PRO . 23.5 t -144.16 151.59 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 73.239999999999995 111.086 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.9 tp -111.89 114.47 27.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.530000000000001 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.849 HG21 ' HB1' ' A' ' 155' ' ' ALA . 39.0 t -109.73 153.18 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 62.229999999999997 111.03 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -118.94 91.12 0.5 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 54.119999999999997 112.499 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.643 HD21 ' HB2' ' A' ' 146' ' ' ALA . 9.6 t-20 -71.34 177.63 3.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.333 . . . . 74.120000000000005 110.881 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.407 ' HB3' HD23 ' A' ' 120' ' ' LEU . 1.7 mttt 63.05 38.41 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 73.140000000000001 111.0 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 13.0 t -72.42 -24.52 61.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 110.983 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -72.97 -24.32 60.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 62.329999999999998 111.153 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.407 HD23 ' HB3' ' A' ' 117' ' ' LYS . 3.8 mm? -50.66 142.79 10.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.436 -0.347 . . . . 62.009999999999998 111.121 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.73 22.15 7.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 65.120000000000005 111.43 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.416 ' HB3' ' OD1' ' A' ' 85' ' ' ASN . . . -145.38 71.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.433 -0.349 . . . . 62.149999999999999 110.961 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.611 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -78.03 85.01 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 42.219999999999999 110.948 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 23.2 p -57.78 -33.86 68.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 72.430000000000007 110.806 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.2 t -103.59 95.09 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.114 -0.494 . . . . 62.399999999999999 110.82 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -55.04 167.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 63.140000000000001 111.012 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.1 p -63.64 -38.4 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 65.329999999999998 111.065 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -59.81 -52.7 64.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 75.329999999999998 110.941 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -56.02 -42.15 76.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 73.430000000000007 110.994 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.12 -31.23 64.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 70.219999999999999 111.043 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -38.71 81.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 64.109999999999999 110.864 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -34.36 71.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 71.019999999999996 110.905 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.414 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 24.2 tp -75.6 -50.47 15.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.099999999999994 110.9 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.24 82.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 73.209999999999994 111.13 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -62.52 -32.66 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.329999999999998 110.92 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -29.37 62.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 64.239999999999995 110.681 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.414 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 19.8 m-85 -86.39 -20.08 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 75.400000000000006 111.191 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.31 21.4 70.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.597 -0.811 . . . . 64.25 112.409 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 4.0 pt -114.46 156.58 44.36 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.719 0.295 . . . . 62.399999999999999 111.218 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.696 ' HG2' HG13 ' A' ' 112' ' ' VAL . 56.2 Cg_endo -70.38 149.25 62.66 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.569 2.18 . . . . 64.510000000000005 112.158 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -114.18 105.89 13.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 73.230000000000004 110.874 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.7 HD11 HG21 ' A' ' 158' ' ' THR . 3.1 mp -105.82 145.55 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 63.310000000000002 111.134 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -117.82 121.51 40.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 75.120000000000005 110.759 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 18.7 p -138.67 -179.78 6.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 75.349999999999994 111.055 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.34 128.27 16.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 72.120000000000005 110.82 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.791 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -70.66 -23.45 62.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 72.319999999999993 111.438 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.418 ' HB2' ' N1 ' ' A' ' 219' ' ' GNP . 4.9 tptt -82.56 -66.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.853 0.358 . . . . 74.239999999999995 111.07 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.8 p -68.98 -23.2 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.530000000000001 111.113 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.411 ' CD ' HG21 ' A' ' 152' ' ' VAL . 0.0 OUTLIER 63.45 65.51 0.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.003 0.43 . . . . 71.420000000000002 110.792 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.26 121.2 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 72.219999999999999 110.912 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 62.14 18.52 57.85 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 64.439999999999998 112.805 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.431 HG13 ' CD2' ' A' ' 19' ' ' LEU . 27.0 t -55.25 -55.5 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.916 0.389 . . . . 75.299999999999997 111.141 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 6.3 mt-10 -63.66 -28.63 70.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.519 . . . . 71.439999999999998 110.865 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -58.2 -47.57 83.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 71.299999999999997 110.994 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.849 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -59.98 -48.1 83.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 61.140000000000001 111.084 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -59.78 -49.14 78.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 74.040000000000006 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 19.0 m-85 -54.64 -36.99 65.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 74.439999999999998 111.018 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.7 HG21 HD11 ' A' ' 142' ' ' ILE . 3.9 m -57.04 -38.42 73.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 75.349999999999994 110.941 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.753 HD23 HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -58.86 -44.2 91.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 61.149999999999999 110.808 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.882 HG11 HG13 ' A' ' 46' ' ' ILE . 11.2 t -59.07 -41.73 84.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 71.430000000000007 111.02 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -67.64 -28.83 68.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 73.239999999999995 110.942 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.86 -49.95 33.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 73.400000000000006 110.896 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 34.3 mt -57.57 -57.56 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 120.986 0.422 . . . . 75.409999999999997 110.973 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -33.32 54.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.868 -0.605 . . . . 74.030000000000001 111.015 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -31.9 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 74.519999999999996 110.756 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 81.0 t60 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.254 -0.879 . . . . 73.510000000000005 110.82 179.904 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.418 ' N1 ' ' HB2' ' A' ' 147' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . 0.431 ' O ' ' CD ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.629 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.787 0.327 . . . . 64.329999999999998 111.19 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.444 HG22 ' HB3' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -92.74 149.66 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 63.149999999999999 110.774 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.42 108.8 20.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 74.310000000000002 110.865 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -98.9 124.3 43.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.230000000000004 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -98.41 97.2 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 75.519999999999996 110.656 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.965 HD23 HD23 ' A' ' 159' ' ' LEU . 0.6 OUTLIER -90.8 123.5 34.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 75.540000000000006 111.039 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.433 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 87.0 t -113.66 102.26 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 74.409999999999997 111.057 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.466 HG12 ' HG3' ' A' ' 16' ' ' LYS . 12.8 t -85.02 143.07 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.417 . . . . 54.549999999999997 110.949 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 79' ' ' LEU . 11.2 m -113.18 160.3 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 73.310000000000002 111.098 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.92 148.16 19.78 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.806 -0.711 . . . . 53.420000000000002 112.394 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.06 -17.61 13.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.68 0.276 . . . . 70.140000000000001 111.394 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.06 76.7 0.52 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.767 -0.73 . . . . 53.100000000000001 112.427 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.64 35.33 2.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 75.409999999999997 112.44 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.49 -26.37 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 72.25 111.201 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.4 25.09 7.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 31.52 112.488 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HG3' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -60.34 -58.37 8.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.868 0.365 . . . . 63.219999999999999 110.791 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -30.13 70.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 54.109999999999999 111.018 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.83 70.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.099999999999994 111.115 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.43 HD23 HG13 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -61.41 -36.36 80.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 73.209999999999994 110.936 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.447 HG23 HG22 ' A' ' 55' ' ' ILE . 62.7 m -58.38 -50.43 73.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 55.340000000000003 111.077 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.85 -32.11 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 73.310000000000002 110.779 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -64.38 -37.61 88.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 43.310000000000002 110.674 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.579 HD12 ' CD2' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -76.65 -15.26 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 73.420000000000002 111.322 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mm -106.56 -69.58 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.758 0.314 . . . . 73.549999999999997 111.524 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -84.82 -26.83 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 74.530000000000001 111.308 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 65.68 75.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 72.400000000000006 110.939 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.82 155.93 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 71.319999999999993 110.662 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.36 110.85 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 73.409999999999997 110.658 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.684 HG22 ' CD1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -55.69 147.4 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 74.0 111.382 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 t0 178.68 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 63.299999999999997 110.765 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -94.2 50.31 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 64.219999999999999 111.043 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.684 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -145.94 177.36 9.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 71.120000000000005 110.934 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.84 147.94 34.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 74.549999999999997 110.787 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.86 -37.43 6.56 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.571 2.181 . . . . 75.329999999999998 112.445 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.98 106.67 8.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 71.239999999999995 111.098 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.2 pp -151.97 166.66 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.536 . . . . 73.219999999999999 111.434 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.47 26.21 10.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.884 -0.598 . . . . 73.519999999999996 111.148 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.29 56.59 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 70.150000000000006 110.708 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.4 p -55.37 152.88 7.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 45.149999999999999 111.069 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.89 156.88 37.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 72.0 110.773 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.84 115.09 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 73.109999999999999 110.899 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -106.18 149.47 26.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 73.519999999999996 110.849 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -100.93 120.23 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 63.229999999999997 110.967 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.408 HG22 ' HG ' ' A' ' 53' ' ' LEU . 14.0 m -133.63 178.01 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.401 . . . . 74.310000000000002 111.085 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 45' ' ' VAL . 7.9 p -119.46 102.74 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 63.539999999999999 111.155 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.907 HG13 HG11 ' A' ' 160' ' ' VAL . 5.3 mm -86.7 116.07 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 54.5 111.118 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 57.9 31.95 21.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 74.5 111.06 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.68 3.82 85.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 71.549999999999997 112.854 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -109.13 107.13 17.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.873 0.368 . . . . 73.150000000000006 110.768 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -58.8 119.84 7.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.867 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.444 ' HB3' HG22 ' A' ' 2' ' ' THR . 51.8 m -147.36 148.66 31.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 43.049999999999997 110.927 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.629 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -79.02 150.16 32.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 64.430000000000007 110.939 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' HG22 ' A' ' 44' ' ' VAL . 22.7 mt -126.59 87.69 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 72.519999999999996 110.854 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -81.58 92.12 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 71.030000000000001 110.943 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.804 HD13 HD13 ' A' ' 6' ' ' LEU . 23.4 mm -82.63 109.19 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 75.319999999999993 111.175 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.15 135.39 46.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 71.439999999999998 110.919 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' OD2' HD11 ' A' ' 36' ' ' ILE . 18.0 t70 -114.31 69.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.400000000000006 110.799 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.2 p -75.25 -173.76 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 72.109999999999999 110.759 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.45 144.03 26.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 61.119999999999997 111.192 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.53 -81.64 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.677 -0.773 . . . . 74.530000000000001 112.465 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -141.45 98.14 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.733 0.302 . . . . 75.409999999999997 110.998 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -130.02 28.84 5.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 72.109999999999999 111.007 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 58.12 53.75 6.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 53.340000000000003 110.966 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -135.95 107.28 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 75.519999999999996 110.924 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -115.59 -12.32 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 71.430000000000007 111.445 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.26 -50.95 63.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.775 0.322 . . . . 74.099999999999994 111.227 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 16.2 ptp -72.99 -26.72 61.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 73.420000000000002 111.083 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -55.56 -28.13 53.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.395 -0.366 . . . . 70.450000000000003 111.15 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -78.5 -29.46 46.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 55.310000000000002 111.065 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 74' ' ' THR . 4.2 pt20 -76.26 -34.36 59.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.777 0.322 . . . . 73.450000000000003 110.954 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -78.42 -56.83 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 75.010000000000005 110.773 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.5 mtt -51.72 -48.44 63.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 62.310000000000002 110.874 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -60.81 -22.16 63.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 72.349999999999994 110.94 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 70' ' ' GLN . 53.8 p -103.4 -1.14 29.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.47 . . . . 65.230000000000004 111.371 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.433 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -92.22 130.03 10.12 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.629 -0.796 . . . . 74.040000000000006 112.907 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.02 -22.4 58.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 73.310000000000002 110.677 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 179.56 30.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.873 -0.68 . . . . 74.319999999999993 112.192 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.433 ' CD1' ' HB ' ' A' ' 7' ' ' VAL . 93.1 m-85 -148.9 136.4 20.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 73.420000000000002 110.928 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.607 HD12 HD22 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -117.17 125.22 50.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 72.129999999999995 110.784 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.513 ' O ' HD12 ' A' ' 113' ' ' LEU . 16.5 m -97.09 115.53 27.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 64.310000000000002 110.925 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.8 t -102.6 109.06 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 61.049999999999997 111.216 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.66 141.89 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 63.350000000000001 110.611 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.28 123.64 34.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 73.439999999999998 111.164 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.637 HD12 ' HB2' ' A' ' 123' ' ' ARG . 6.8 pt -65.14 -28.96 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 61.130000000000003 110.781 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' HG13 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -82.2 -31.05 30.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 42.240000000000002 110.584 179.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.18 103.53 13.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 71.239999999999995 110.991 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.448 HG23 HG22 ' A' ' 125' ' ' VAL . 11.0 m -66.86 -26.04 66.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.109999999999999 110.907 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -56.82 -49.9 74.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 70.519999999999996 111.138 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 p -54.45 -38.38 66.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 41.009999999999998 111.043 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -57.33 -29.0 63.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 64.549999999999997 110.904 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.87 -41.75 51.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 74.420000000000002 110.835 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.61 -32.24 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 75.310000000000002 110.842 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.429 HD12 ' HB3' ' A' ' 80' ' ' CYS . 11.0 mm -63.92 -25.75 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 116.352 -0.385 . . . . 75.329999999999998 110.747 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -75.86 -50.51 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.616 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -28.94 62.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.150000000000006 111.031 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.6 -41.36 98.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 74.299999999999997 110.805 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.433 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 59.9 ttt-85 -60.34 -42.06 94.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 63.530000000000001 110.807 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.45 -27.54 68.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 72.439999999999998 111.195 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -38.29 83.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.331 -0.395 . . . . 74.150000000000006 110.971 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.588 HD12 ' HE1' ' A' ' 111' ' ' MET . 63.8 mt -60.93 -58.9 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 75.129999999999995 110.978 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -53.71 -37.92 63.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 74.150000000000006 111.07 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -57.54 -58.02 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 62.340000000000003 111.187 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 p -72.14 -30.9 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 62.240000000000002 111.409 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.421 ' HG3' HG22 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -77.74 -19.12 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 62.530000000000001 111.218 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 t70 65.8 48.45 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 74.400000000000006 110.729 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.48 122.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.906 -0.588 . . . . 74.319999999999993 110.737 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.48 -25.17 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 72.340000000000003 111.156 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -102.55 99.95 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.368 -0.378 . . . . 62.119999999999997 111.165 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.518 HG21 ' CG2' ' A' ' 100' ' ' ILE . 28.1 m -125.74 153.14 73.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 51.219999999999999 110.994 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.64 102.05 1.25 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.582 2.188 . . . . 74.439999999999998 112.35 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.588 ' HE1' HD12 ' A' ' 100' ' ' ILE . 16.8 ptp -147.11 168.46 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 54.340000000000003 110.944 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.685 HG13 ' HG2' ' A' ' 140' ' ' PRO . 41.6 t -143.77 147.72 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 64.140000000000001 111.196 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.574 HD23 ' HB2' ' A' ' 134' ' ' ALA . 13.9 tp -107.62 131.2 54.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 75.409999999999997 110.765 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 1.021 HG21 ' HB1' ' A' ' 155' ' ' ALA . 57.4 t -128.18 152.28 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 63.039999999999999 111.165 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.26 88.36 0.48 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.909 -0.662 . . . . 42.409999999999997 112.351 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -67.38 171.94 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 50.32 111.137 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.1 mttp 63.84 41.9 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 73.129999999999995 110.952 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 26.3 t -83.24 -16.29 47.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.540000000000006 111.213 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -84.89 -19.25 32.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.51 -0.314 . . . . 65.510000000000005 111.349 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.93 178.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.714 0.292 . . . . 45.130000000000003 111.166 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.61 23.74 7.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 72.420000000000002 111.321 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.4 74.55 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 61.210000000000001 110.99 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.637 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -84.5 114.99 22.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 41.140000000000001 110.795 -179.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 36.7 p -89.1 -65.05 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 71.219999999999999 110.657 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.448 HG22 HG23 ' A' ' 87' ' ' THR . 39.3 t -70.65 99.47 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.030000000000001 110.894 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.09 156.08 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 73.129999999999995 111.186 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.8 t -55.35 -28.3 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 72.120000000000005 110.913 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.51 -52.19 65.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.273 -0.421 . . . . 72.209999999999994 110.741 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.5 -47.44 85.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.123 -0.489 . . . . 73.219999999999999 110.851 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.71 99.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 52.200000000000003 111.035 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.49 -35.76 77.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 75.409999999999997 110.921 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.26 -31.27 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 61.340000000000003 110.823 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.409 HD23 HD21 ' A' ' 113' ' ' LEU . 13.1 tp -80.35 -51.45 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 50.530000000000001 110.927 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.574 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -62.06 -43.47 98.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 64.329999999999998 111.114 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -63.19 -29.3 70.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 65.420000000000002 111.132 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.4 m -73.96 -34.86 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 74.420000000000002 110.871 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 20.5 m-85 -79.33 -15.57 57.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 74.109999999999999 111.222 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.69 19.34 71.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.665 -0.778 . . . . 63.109999999999999 112.564 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.49 HG21 ' HG3' ' A' ' 111' ' ' MET . 19.2 pt -112.53 154.6 44.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 73.049999999999997 111.296 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.685 ' HG2' HG13 ' A' ' 112' ' ' VAL . 43.5 Cg_endo -67.89 150.48 78.37 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.557 2.171 . . . . 61.109999999999999 112.305 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -119.27 116.9 27.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 65.420000000000002 110.913 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.884 HD11 HG21 ' A' ' 158' ' ' THR . 2.0 mp -117.06 150.64 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 74.329999999999998 111.088 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -113.61 127.72 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 73.329999999999998 110.746 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 151' ' ' GLY . 10.7 p -140.3 175.79 9.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.942 0.401 . . . . 71.319999999999993 111.161 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.6 t -150.52 124.57 9.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 30.219999999999999 110.646 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.07 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 55.009999999999998 111.54 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.415 ' HB2' ' N1 ' ' A' ' 219' ' ' GNP . 55.9 tptt -68.19 -66.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 74.129999999999995 111.161 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 14.9 t -83.51 -19.59 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.476 -0.329 . . . . 64.439999999999998 111.517 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 70.1 37.3 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 70.329999999999998 110.737 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.38 126.18 31.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 74.400000000000006 110.962 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.528 ' O ' HG22 ' A' ' 144' ' ' THR . . . 55.11 24.7 36.62 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.929 -0.653 . . . . 72.340000000000003 112.821 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.43 HG13 HD23 ' A' ' 19' ' ' LEU . 2.3 t -60.7 -55.3 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-O 120.872 0.368 . . . . 54.509999999999998 110.688 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.02 -31.38 72.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 51.329999999999998 110.68 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -45.34 83.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 72.239999999999995 110.958 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 1.021 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -58.27 -47.74 82.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 53.329999999999998 111.267 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.579 ' CD2' HD12 ' A' ' 23' ' ' LEU . 70.2 m-85 -72.73 -44.74 61.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 73.400000000000006 110.967 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -56.68 -35.49 68.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 55.530000000000001 110.979 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.884 HG21 HD11 ' A' ' 142' ' ' ILE . 92.4 m -60.07 -36.88 78.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 63.229999999999997 110.919 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.965 HD23 HD23 ' A' ' 6' ' ' LEU . 34.1 tp -67.59 -30.64 70.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 110.831 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.907 HG11 HG13 ' A' ' 46' ' ' ILE . 21.9 t -58.13 -39.42 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 74.409999999999997 111.044 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -76.36 -28.9 56.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 64.239999999999995 110.872 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -70.32 -48.35 56.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 74.439999999999998 111.013 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.48 -39.76 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 116.367 -0.379 . . . . 60.329999999999998 111.266 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -44.73 89.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.409 . . . . 62.009999999999998 110.957 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -55.51 -29.96 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 62.229999999999997 111.051 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.192 -0.908 . . . . 74.329999999999998 110.889 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.651 H5'1 ' O1B' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.814 0.34 . . . . 64.540000000000006 111.289 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.09 149.76 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 74.340000000000003 110.714 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -110.57 122.97 49.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 61.310000000000002 110.866 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -107.48 134.46 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.140000000000001 110.949 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -112.22 92.08 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 73.219999999999999 110.555 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.724 HD22 HD12 ' A' ' 159' ' ' LEU . 9.7 mt -88.81 131.98 34.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 74.219999999999999 111.13 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.404 HG21 ' HA3' ' A' ' 75' ' ' GLY . 95.9 t -104.91 107.79 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 64.430000000000007 111.008 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -91.81 139.27 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 73.230000000000004 111.065 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 79' ' ' LEU . 4.5 m -117.71 175.28 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 53.329999999999998 111.047 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.29 154.0 23.04 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 63.310000000000002 112.48 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.85 16.53 13.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 65.019999999999996 111.439 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.407 ' O ' ' O1B' ' A' ' 219' ' ' GNP . . . 90.65 -15.06 61.29 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.649 -0.786 . . . . 74.109999999999999 112.938 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.1 50.62 0.47 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.575 -0.822 . . . . 32.299999999999997 112.7 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -117.45 -8.29 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.668 0.247 . . . . 51.350000000000001 111.668 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.98 32.95 42.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.66 -0.781 . . . . 72.340000000000003 112.573 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -30.87 69.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.772 0.32 . . . . 61.310000000000002 110.948 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.54 -36.46 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 73.450000000000003 110.904 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -58.64 -59.57 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 63.350000000000001 111.134 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.565 HD21 HG11 ' A' ' 81' ' ' VAL . 2.8 pp -56.41 -26.72 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 70.340000000000003 110.986 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.847 HG23 HG21 ' A' ' 55' ' ' ILE . 75.8 m -71.66 -58.88 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 74.140000000000001 110.83 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.51 HG13 HG23 ' A' ' 29' ' ' VAL . 45.0 mm -58.82 -30.44 42.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 74.129999999999995 111.117 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 11.2 mm-40 -65.07 -44.75 87.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 73.420000000000002 110.645 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.706 HD13 ' CD2' ' A' ' 156' ' ' PHE . 0.6 OUTLIER -76.78 -2.91 35.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 63.329999999999998 111.449 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.0 mm -114.83 -65.83 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.839 0.352 . . . . 74.439999999999998 111.399 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.06 20.98 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 71.040000000000006 111.844 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 3.0 p-10 42.03 32.45 0.3 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.792 0.33 . . . . 52.530000000000001 111.484 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -136.24 153.24 51.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 73.219999999999999 110.482 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.481 ' HE2' HO2' ' A' ' 219' ' ' GNP . 24.7 t80 -53.58 -85.17 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.224 -0.444 . . . . 74.420000000000002 111.019 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.51 HG23 HG13 ' A' ' 21' ' ' ILE . 1.3 p 178.94 148.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.763 0.316 . . . . 61.240000000000002 110.983 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 6.4 t70 173.7 -36.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 71.019999999999996 110.491 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -94.92 72.93 3.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.521 . . . . 62.200000000000003 110.887 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -139.98 158.33 44.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 74.439999999999998 110.839 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.11 150.02 40.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 61.210000000000001 110.931 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.89 104.47 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.564 2.176 . . . . 75.140000000000001 112.158 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.464 ' HA ' ' HB2' ' A' ' 59' ' ' ALA . 0.9 OUTLIER 62.17 103.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 63.009999999999998 110.79 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.503 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.3 pp -154.72 170.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 63.25 111.447 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -118.74 26.73 9.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.821 -0.627 . . . . 73.450000000000003 111.186 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -82.45 58.23 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.996 0.427 . . . . 75.209999999999994 110.657 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.9 p -54.21 153.9 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 73.340000000000003 111.189 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -104.74 150.71 24.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 75.400000000000006 110.747 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -128.25 106.46 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 75.430000000000007 110.889 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' O ' HD13 ' A' ' 52' ' ' LEU . 9.1 tttm -114.14 146.08 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 61.119999999999997 110.819 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -102.9 117.53 34.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.951 -0.568 . . . . 64.239999999999995 110.624 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 53' ' ' LEU . 33.0 m -127.69 177.79 5.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 71.519999999999996 111.156 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.34 100.9 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 111.096 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.888 HG13 HG11 ' A' ' 160' ' ' VAL . 16.6 mm -81.56 99.66 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 62.240000000000002 111.166 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 t70 57.32 31.98 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.140000000000001 111.06 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.63 -28.26 16.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.73 -0.748 . . . . 74.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.75 113.0 15.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 63.5 110.951 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.6 m -78.67 121.79 25.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 55.229999999999997 110.85 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.8 m -151.23 150.4 30.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 54.049999999999997 111.019 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -78.62 150.43 32.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 53.219999999999999 110.467 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.555 HD11 HG21 ' A' ' 44' ' ' VAL . 45.7 mt -123.59 96.97 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 72.140000000000001 111.013 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.92 100.55 13.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 74.310000000000002 110.802 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.847 HG21 HG23 ' A' ' 20' ' ' THR . 22.2 mm -93.09 110.46 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 61.210000000000001 111.074 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.544 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -92.26 117.15 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.109999999999999 110.577 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -99.15 107.95 20.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.219999999999999 110.875 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.544 HG22 HD21 ' A' ' 56' ' ' LEU . 6.4 p -93.09 -173.82 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 64.409999999999997 110.797 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 35' ' ' SER . . . -108.57 147.41 31.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 75.420000000000002 111.109 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.37 13.29 21.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.642 -0.789 . . . . 55.420000000000002 112.65 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -138.56 -172.3 3.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.818 0.342 . . . . 65.510000000000005 110.696 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 63.58 17.43 10.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 75.030000000000001 111.2 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 52.89 86.15 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.865 0.364 . . . . 73.450000000000003 111.179 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -126.39 121.67 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 75.140000000000001 110.84 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.5 p -135.97 -45.16 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 62.229999999999997 111.081 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.73 -46.47 70.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 72.519999999999996 111.312 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.91 -35.29 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 73.230000000000004 110.785 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -59.6 -39.24 83.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 61.109999999999999 110.846 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -70.37 -31.22 68.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.511 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -63.5 -42.26 98.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 73.239999999999995 110.583 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -69.03 -30.77 69.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.009 -0.541 . . . . 72.340000000000003 111.083 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.606 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.1 mtt -62.49 -58.19 8.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 72.230000000000004 110.796 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 50.0 mtp85 -55.67 -27.06 47.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 73.319999999999993 110.957 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.9 p -106.42 19.33 20.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 65.340000000000003 111.202 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.404 ' HA3' HG21 ' A' ' 7' ' ' VAL . . . -108.94 113.65 3.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.608 -0.806 . . . . 53.549999999999997 112.635 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.23 -29.44 68.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.864 0.364 . . . . 71.430000000000007 110.819 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.43 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -149.73 -173.3 20.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.938 -0.648 . . . . 74.510000000000005 112.239 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -151.58 136.55 17.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 74.420000000000002 111.169 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.976 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -120.5 124.69 46.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 75.450000000000003 110.807 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.877 ' HB3' HD12 ' A' ' 93' ' ' ILE . 58.3 m -98.49 108.46 21.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 73.349999999999994 110.875 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.565 HG11 HD21 ' A' ' 19' ' ' LEU . 41.2 t -100.76 119.37 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 61.439999999999998 111.159 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.56 144.44 46.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.209999999999994 110.714 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.22 127.94 36.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.406 . . . . 74.230000000000004 111.178 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.871 HD12 ' CB ' ' A' ' 123' ' ' ARG . 5.6 pt -59.63 -30.85 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 63.310000000000002 110.976 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -79.65 -3.32 46.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 64.230000000000004 111.335 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -122.67 100.62 7.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.854 0.359 . . . . 73.409999999999997 110.917 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -63.85 -26.72 68.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 73.230000000000004 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -66.4 -42.08 88.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 73.430000000000007 110.595 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.1 m -60.93 -38.2 84.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 73.540000000000006 110.85 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -60.77 -49.38 77.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 71.129999999999995 110.852 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.8 -29.73 68.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 64.230000000000004 110.97 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' A' ' 95' ' ' GLN . 8.1 m-20 -70.52 -31.4 68.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 70.109999999999999 110.923 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.877 HD12 ' HB3' ' A' ' 80' ' ' CYS . 33.3 mm -61.5 -29.51 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 43.310000000000002 110.702 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -71.27 -52.83 16.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 54.210000000000001 110.706 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -71.99 -28.38 63.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 74.439999999999998 111.049 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 1.8 m-85 -64.22 -53.68 45.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 73.120000000000005 111.002 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.544 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -56.55 -35.69 68.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 74.519999999999996 111.155 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -59.86 -33.43 71.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 73.319999999999993 110.941 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -33.35 75.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 65.349999999999994 110.872 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.677 HD13 ' HE3' ' A' ' 111' ' ' MET . 33.5 mt -68.17 -44.14 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.319999999999993 110.99 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -58.63 -28.53 65.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 72.120000000000005 110.924 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -74.41 -58.23 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.430000000000007 110.932 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.606 HG11 ' HB2' ' A' ' 72' ' ' MET . 41.6 t -58.54 -58.59 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 73.530000000000001 110.86 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -61.0 -24.35 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 72.329999999999998 110.879 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.1 t0 63.15 35.09 13.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 62.100000000000001 110.7 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.08 138.14 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 73.340000000000003 110.914 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -71.38 -29.05 64.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.889 -0.596 . . . . 61.25 110.671 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.02 100.25 11.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.758 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.529 HG13 ' HD2' ' A' ' 110' ' ' PRO . 59.7 t -139.21 137.06 18.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.540000000000006 110.762 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.529 ' HD2' HG13 ' A' ' 109' ' ' VAL . 58.5 Cg_endo -72.32 102.82 1.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.758 2.306 . . . . 72.340000000000003 112.379 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.814 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -146.17 163.73 34.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 61.130000000000003 111.066 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.586 HG23 HD22 ' A' ' 159' ' ' LEU . 43.7 t -141.95 146.86 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 73.439999999999998 111.231 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.602 HD22 HG21 ' A' ' 93' ' ' ILE . 7.7 tp -107.69 111.85 24.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 75.340000000000003 110.742 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.758 HG22 ' HB1' ' A' ' 155' ' ' ALA . 15.9 t -98.68 144.53 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 72.140000000000001 111.268 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.1 80.06 0.26 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.76 -0.733 . . . . 74.239999999999995 112.414 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.544 HD21 ' HB2' ' A' ' 146' ' ' ALA . 4.5 t-20 -63.12 174.61 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 63.240000000000002 110.978 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.467 ' HB3' HD23 ' A' ' 120' ' ' LEU . 2.0 mttp 61.74 48.85 5.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 73.540000000000006 110.933 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.1 t -82.26 -6.27 59.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 71.540000000000006 111.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -97.24 -22.4 16.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.644 0.259 . . . . 72.409999999999997 111.087 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.474 HD21 ' N2 ' ' A' ' 219' ' ' GNP . 3.8 mm? -48.84 133.98 17.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.49 -0.323 . . . . 51.25 111.09 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.41 26.48 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 74.040000000000006 111.313 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.83 36.9 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.428 -0.351 . . . . 71.310000000000002 111.109 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.871 ' CB ' HD12 ' A' ' 84' ' ' ILE . 12.1 ptm180 -55.86 128.59 35.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 73.329999999999998 110.976 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.9 p -98.63 -38.19 9.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 110.813 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 50.2 t -105.56 94.18 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.098 -0.501 . . . . 74.019999999999996 111.077 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.71 158.57 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.303 -0.408 . . . . 72.409999999999997 110.882 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.0 p -58.88 -23.71 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 45.450000000000003 111.106 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -62.81 -52.92 61.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 73.099999999999994 110.959 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.59 -35.36 78.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.209999999999994 110.976 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.0 70.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 72.329999999999998 111.216 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -40.62 94.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 72.319999999999993 110.869 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.41 -46.31 83.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 73.519999999999996 110.942 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.556 ' C ' HD13 ' A' ' 133' ' ' LEU . 3.0 tm? -62.57 -51.04 68.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 74.319999999999993 111.023 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.415 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -65.47 -38.02 88.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 54.509999999999998 111.219 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -65.05 -27.45 68.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 64.329999999999998 111.105 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.91 -28.92 61.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 71.030000000000001 110.775 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.552 ' HE2' HD11 ' A' ' 133' ' ' LEU . 21.0 m-85 -85.35 -21.48 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 74.140000000000001 111.177 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.46 15.52 63.89 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.632 -0.794 . . . . 51.450000000000003 112.627 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.814 HG21 ' HG2' ' A' ' 111' ' ' MET . 22.0 pt -107.17 152.49 41.14 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 120.719 0.295 . . . . 72.450000000000003 111.297 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.433 ' HG2' HG13 ' A' ' 112' ' ' VAL . 37.6 Cg_endo -66.24 155.5 69.52 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.538 2.159 . . . . 62.100000000000001 112.255 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -130.56 117.94 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 75.109999999999999 110.862 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.844 HD11 HG21 ' A' ' 158' ' ' THR . 5.1 mp -122.05 144.63 30.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 55.039999999999999 110.909 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -111.21 127.82 55.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 72.549999999999997 110.671 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 23.6 p -139.84 179.24 6.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 74.420000000000002 111.158 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 p -141.43 119.39 11.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.933 -0.576 . . . . 55.119999999999997 110.661 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.544 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -74.23 -22.85 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 54.350000000000001 111.483 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -86.2 -45.29 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 65.299999999999997 111.178 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.09 -12.54 30.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 73.319999999999993 111.448 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.507 ' HD3' HG21 ' A' ' 152' ' ' VAL . 1.1 tpt85 57.39 73.77 0.45 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.912 0.386 . . . . 63.109999999999999 110.901 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -125.08 113.47 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 43.030000000000001 110.839 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 57.52 20.29 37.56 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 32.119999999999997 112.763 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.507 HG21 ' HD3' ' A' ' 149' ' ' ARG . 33.2 t -54.78 -55.22 16.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.873 0.368 . . . . 45.409999999999997 111.061 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.611 ' HG2' HD12 ' A' ' 23' ' ' LEU . 82.4 mt-10 -60.12 -25.76 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 72.439999999999998 110.797 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -57.72 -52.17 66.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 70.299999999999997 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.758 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -57.99 -45.06 87.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 64.430000000000007 111.123 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.706 ' CD2' HD13 ' A' ' 23' ' ' LEU . 12.4 m-85 -58.81 -52.01 67.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 75.140000000000001 110.971 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.72 -31.42 58.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 74.239999999999995 111.119 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.844 HG21 HD11 ' A' ' 142' ' ' ILE . 2.5 m -59.25 -40.25 85.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 41.439999999999998 110.826 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.976 HD23 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -59.32 -42.75 92.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 74.409999999999997 110.929 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.888 HG11 HG13 ' A' ' 46' ' ' ILE . 11.3 t -60.38 -40.61 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 72.319999999999993 110.978 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -68.42 -30.33 69.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 74.239999999999995 110.91 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.97 -48.91 61.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 52.32 110.933 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 76.7 mt -57.74 -52.66 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.223 -0.444 . . . . 73.450000000000003 111.354 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -37.38 36.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 64.030000000000001 111.152 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -60.64 -31.55 70.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 73.109999999999999 110.823 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.251 -0.88 . . . . 61.32 110.795 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.522 ' PA ' ' O1G' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.623 ' SD ' HD23 ' A' ' 52' ' ' LEU . 31.7 ttm . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.938 0.399 . . . . 51.340000000000003 111.13 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.84 149.71 52.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.079 -0.51 . . . . 75.409999999999997 110.601 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -94.78 118.51 31.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 71.409999999999997 110.777 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -107.27 105.86 16.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 74.420000000000002 111.017 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.2 104.75 8.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 71.019999999999996 110.731 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.765 HD13 HD13 ' A' ' 55' ' ' ILE . 0.6 OUTLIER -96.42 127.3 42.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 70.129999999999995 111.146 -179.748 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.422 HG23 ' HA3' ' A' ' 75' ' ' GLY . 89.6 t -106.27 107.57 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 73.310000000000002 110.923 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.0 t -86.55 139.45 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 55.340000000000003 111.082 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.49 166.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 70.409999999999997 111.085 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.4 -73.36 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.686 -0.768 . . . . 23.129999999999999 112.568 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.533 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . -176.59 -172.44 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 73.420000000000002 111.089 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.95 28.13 16.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 74.329999999999998 112.472 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.2 44.61 0.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.841 -0.695 . . . . 71.200000000000003 112.357 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.533 HG13 ' HB3' ' A' ' 11' ' ' ALA . 3.6 m -111.01 -25.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 34.240000000000002 111.436 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.471 ' HA2' ' O2A' ' A' ' 219' ' ' GNP . . . 112.45 23.27 5.49 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.707 -0.759 . . . . 65.439999999999998 112.311 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.82 -46.51 81.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 71.129999999999995 111.055 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.529 ' O ' HD12 ' A' ' 21' ' ' ILE . 14.5 m -56.82 -51.4 69.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 61.439999999999998 110.976 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.711 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -58.32 -40.69 82.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 62.210000000000001 111.083 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.715 HD23 HG13 ' A' ' 152' ' ' VAL . 2.9 mt -63.34 -42.1 98.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 70.340000000000003 110.994 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.675 HG23 ' CG2' ' A' ' 55' ' ' ILE . 84.9 m -66.08 -46.71 76.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 111.131 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 17' ' ' SER . 1.5 mp -65.59 -34.43 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.315 -0.402 . . . . 73.530000000000001 110.9 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.536 ' CB ' HG11 ' A' ' 152' ' ' VAL . 29.1 mm-40 -59.65 -39.59 84.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.357 -0.383 . . . . 62.5 110.713 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -76.64 -5.8 49.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 75.319999999999993 111.298 179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.1 mm -116.45 -71.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.7 0.286 . . . . 74.409999999999997 111.399 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -83.49 -24.91 31.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.019999999999996 111.261 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 69.63 69.15 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 70.439999999999998 111.202 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.44 ' CE1' HG21 ' A' ' 21' ' ' ILE . 1.6 p-80 -173.77 162.55 4.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 63.5 110.602 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -56.09 -78.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 74.099999999999994 111.168 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.1 t 173.2 134.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.773 0.32 . . . . 65.299999999999997 110.781 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 t70 179.46 -38.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 72.209999999999994 110.775 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -99.22 60.27 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 75.319999999999993 111.05 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -136.49 145.7 45.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.409999999999997 110.83 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.59 146.61 41.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 71.319999999999993 110.926 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.21 -168.01 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.58 2.187 . . . . 63.219999999999999 112.345 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.6 m 60.56 42.46 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 72.400000000000006 110.925 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.6 pt -146.72 172.4 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 74.25 111.189 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -87.32 -5.74 58.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 71.219999999999999 111.347 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.96 24.9 13.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.796 0.331 . . . . 73.099999999999994 111.09 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.0 t -97.82 143.94 27.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 74.219999999999999 110.884 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -137.01 174.3 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 72.129999999999995 110.987 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -143.59 113.9 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 72.450000000000003 110.815 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -119.52 147.44 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 53.210000000000001 111.072 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -106.76 118.89 37.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.976 -0.556 . . . . 72.310000000000002 110.703 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 53' ' ' LEU . 35.9 m -134.15 178.51 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 71.340000000000003 111.211 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -121.21 100.82 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 73.329999999999998 111.21 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.761 HD12 HG11 ' A' ' 160' ' ' VAL . 36.2 mt -115.98 133.51 62.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.340000000000003 110.895 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t0 67.19 31.47 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 54.100000000000001 110.786 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.65 31.12 78.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 74.109999999999999 112.649 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -147.54 113.85 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 62.140000000000001 110.802 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.8 m -60.24 123.69 17.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 71.099999999999994 110.773 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 97.8 m -145.66 144.03 30.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 73.200000000000003 110.99 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.623 HD23 ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -78.46 143.35 36.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.125 -0.489 . . . . 64.409999999999997 110.791 179.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.458 HD11 HG21 ' A' ' 44' ' ' VAL . 60.3 mt -119.66 104.61 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 53.109999999999999 110.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -90.96 96.55 10.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 74.409999999999997 110.814 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.765 HD13 HD13 ' A' ' 6' ' ' LEU . 14.5 mm -86.46 108.71 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 71.209999999999994 111.061 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.542 HD21 HG22 ' A' ' 58' ' ' THR . 2.6 tt -102.58 131.93 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 72.519999999999996 110.756 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.47 104.35 9.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 74.230000000000004 110.649 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.542 HG22 HD21 ' A' ' 56' ' ' LEU . 8.1 p -75.4 -175.85 2.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 75.549999999999997 110.925 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.3 154.02 39.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 73.129999999999995 111.176 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.84 69.49 0.99 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.694 -0.765 . . . . 73.209999999999994 112.507 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.33 134.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.924 0.392 . . . . 70.040000000000006 110.837 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 178.98 -174.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 65.129999999999995 110.681 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -92.78 39.6 1.04 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 74.099999999999994 111.031 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.98 41.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 74.129999999999995 110.83 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.85 -26.81 37.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 72.430000000000007 111.189 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.14 -55.56 26.54 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 71.340000000000003 111.225 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.0 mmt -83.9 -25.86 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.938 -0.573 . . . . 63.310000000000002 111.041 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -58.29 -37.86 75.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 73.310000000000002 110.791 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.32 -29.32 63.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 71.349999999999994 110.782 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -67.46 -50.81 57.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 74.209999999999994 110.735 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -55.81 -40.61 72.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 74.099999999999994 111.262 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mtt -59.76 -55.65 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 61.109999999999999 110.881 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.452 ' CG ' HG13 ' A' ' 103' ' ' VAL . 7.7 mtt-85 -61.88 -19.33 62.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 62.340000000000003 111.287 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.4 p -104.04 -2.57 25.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.511 -0.313 . . . . 73.0 111.533 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.422 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -101.62 122.34 7.53 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.527 -0.845 . . . . 20.34 112.672 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.1 -29.93 70.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 73.299999999999997 110.748 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.34 -167.07 12.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.92 -0.657 . . . . 53.049999999999997 112.32 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.488 ' CE2' HG23 ' A' ' 100' ' ' ILE . 96.6 m-85 -151.34 139.16 19.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.919 0.39 . . . . 73.329999999999998 111.124 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.816 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -120.41 123.24 42.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 72.530000000000001 110.666 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.823 ' HB3' HD12 ' A' ' 93' ' ' ILE . 48.4 m -100.87 114.41 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 73.140000000000001 111.027 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.481 HG11 HD12 ' A' ' 19' ' ' LEU . 62.4 t -109.09 110.24 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 64.409999999999997 111.093 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.401 ' CD1' HD11 ' A' ' 113' ' ' LEU . 3.0 p90 -123.11 143.2 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 64.019999999999996 110.519 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.04 123.68 31.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 70.430000000000007 111.078 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.914 HD12 ' HB3' ' A' ' 123' ' ' ARG . 7.3 pt -57.28 -31.66 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 71.049999999999997 111.088 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -75.07 -31.62 61.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.576 . . . . 72.150000000000006 111.051 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -101.26 104.69 15.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 63.509999999999998 111.049 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.511 HG23 HG22 ' A' ' 125' ' ' VAL . 7.4 m -68.52 -21.72 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 75.519999999999996 111.022 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -61.39 -43.77 98.3 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.389 -0.369 . . . . 54.210000000000001 110.866 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -59.11 -38.83 80.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.296 -0.411 . . . . 54.530000000000001 110.823 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.424 ' CE1' HD22 ' A' ' 133' ' ' LEU . 25.0 t80 -60.16 -28.79 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 75.310000000000002 110.861 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -71.88 -34.04 68.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 63.43 110.983 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.3 -32.62 66.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 74.420000000000002 110.87 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.823 HD12 ' HB3' ' A' ' 80' ' ' CYS . 29.3 mm -59.61 -25.57 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 71.120000000000005 111.021 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -77.94 -55.37 5.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 64.310000000000002 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -28.42 68.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 71.530000000000001 111.013 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.32 -44.34 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.356 . . . . 74.230000000000004 110.854 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -43.13 82.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 63.240000000000002 110.915 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.92 -38.49 79.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 62.310000000000002 110.921 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -38.73 86.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 75.329999999999998 110.7 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.488 HG23 ' CE2' ' A' ' 78' ' ' PHE . 61.7 mt -65.47 -50.84 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 62.32 110.856 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -40.46 58.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 73.010000000000005 110.933 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -58.9 5.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.225 -0.443 . . . . 71.239999999999995 111.04 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.452 HG13 ' CG ' ' A' ' 73' ' ' ARG . 72.6 t -56.73 -59.46 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 64.239999999999995 111.085 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.6 OUTLIER -59.61 -23.22 62.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 54.310000000000002 110.763 179.76 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.1 t0 63.15 42.84 6.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 74.030000000000001 110.829 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.28 137.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.517 . . . . 73.510000000000005 110.938 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.31 -32.08 73.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.814 -0.63 . . . . 73.25 110.769 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -76.64 96.94 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 64.109999999999999 110.661 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.501 HG13 ' HD2' ' A' ' 110' ' ' PRO . 48.4 t -135.88 136.44 23.28 Favored Pre-proline 0 N--CA 1.453 -0.297 0 CA-C-N 116.218 -0.446 . . . . 72.109999999999999 110.946 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.501 ' HD2' HG13 ' A' ' 109' ' ' VAL . 57.6 Cg_endo -73.05 101.06 1.29 Allowed 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.741 2.294 . . . . 73.439999999999998 112.164 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.513 ' HG3' HG21 ' A' ' 139' ' ' ILE . 18.3 ptp -141.73 165.89 26.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 55.32 111.103 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.595 HG23 HD22 ' A' ' 159' ' ' LEU . 57.6 t -142.19 146.44 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 40.310000000000002 110.936 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 80' ' ' CYS . 8.1 tp -109.44 107.0 16.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 64.519999999999996 110.901 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.759 HG22 ' HB1' ' A' ' 155' ' ' ALA . 17.5 t -94.43 150.52 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 74.200000000000003 111.17 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -121.32 84.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.819 -0.705 . . . . 53.119999999999997 112.38 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.502 HD21 ' HB2' ' A' ' 146' ' ' ALA . 1.7 t-20 -66.83 172.85 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 74.030000000000001 111.035 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.674 ' HB3' HD11 ' A' ' 120' ' ' LEU . 0.3 OUTLIER 57.54 67.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 73.519999999999996 111.032 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.9 t -110.34 -19.55 12.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 64.530000000000001 111.114 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.93 -54.9 23.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.429 -0.35 . . . . 72.430000000000007 111.077 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.823 HD12 ' N2 ' ' A' ' 219' ' ' GNP . 0.0 OUTLIER -53.79 162.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 63.130000000000003 111.147 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.81 39.9 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 63.030000000000001 111.106 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -131.44 60.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 71.140000000000001 110.977 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.914 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -91.36 146.12 24.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 75.510000000000005 111.134 -179.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.4 p -108.43 -39.66 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.617 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.511 HG22 HG23 ' A' ' 87' ' ' THR . 38.7 t -95.47 101.22 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 61.43 110.967 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -55.78 161.69 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 71.140000000000001 111.128 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.7 t -61.4 -42.99 99.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 65.200000000000003 111.092 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -54.14 -46.11 72.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.92 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -60.19 -41.7 93.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.230000000000004 110.889 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.7 -30.46 64.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 53.119999999999997 110.959 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -73.14 -35.07 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 63.240000000000002 110.896 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.88 -31.86 72.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 60.210000000000001 110.913 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.424 HD22 ' CE1' ' A' ' 90' ' ' PHE . 14.6 tp -78.68 -51.41 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 72.510000000000005 110.979 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.18 -51.43 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 54.350000000000001 111.113 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -58.29 -25.34 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 72.239999999999995 111.093 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.51 -28.98 59.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 72.230000000000004 110.794 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.411 ' HB2' HG12 ' A' ' 139' ' ' ILE . 25.3 m-85 -94.52 -5.06 46.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 74.239999999999995 111.42 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.84 23.83 77.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 55.340000000000003 112.486 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.513 HG21 ' HG3' ' A' ' 111' ' ' MET . 17.6 pt -111.94 154.16 44.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 75.329999999999998 111.354 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.51 167.36 22.78 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.608 2.205 . . . . 72.530000000000001 112.369 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -143.55 106.81 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 60.530000000000001 110.784 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.956 HD11 HG21 ' A' ' 158' ' ' THR . 2.2 mp -112.71 153.69 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 65.310000000000002 111.088 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -120.2 139.09 53.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 74.430000000000007 110.951 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 151' ' ' GLY . 16.3 p -147.81 -177.9 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 73.400000000000006 110.989 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.8 p -146.03 114.59 6.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 53.43 110.709 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.711 ' HB1' ' CB ' ' A' ' 18' ' ' ALA . . . -66.32 -19.19 65.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 62.439999999999998 111.451 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -83.0 -66.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.501 -0.318 . . . . 55.219999999999999 111.092 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.8 p -75.43 -20.61 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 65.340000000000003 111.227 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 65.26 66.3 0.55 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.936 0.398 . . . . 75.5 110.891 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -116.87 120.38 38.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 71.430000000000007 110.8 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.467 ' O ' HG22 ' A' ' 144' ' ' THR . . . 60.13 23.69 59.94 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.806 -0.711 . . . . 74.239999999999995 112.606 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.715 HG13 HD23 ' A' ' 19' ' ' LEU . 61.5 t -58.39 -58.82 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 120.734 0.302 . . . . 63.299999999999997 111.055 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 13.1 mt-10 -62.04 -26.01 68.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 53.109999999999999 110.906 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -42.62 82.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 43.530000000000001 110.949 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.759 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -68.27 -42.67 79.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.439999999999998 111.008 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -63.66 -51.4 65.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 110.881 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.5 m-85 -53.63 -31.49 47.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 55.32 110.97 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.956 HG21 HD11 ' A' ' 142' ' ' ILE . 51.1 m -59.81 -41.56 91.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 41.420000000000002 110.853 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.816 HD23 HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -58.65 -48.07 82.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 73.439999999999998 110.961 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.761 HG11 HD12 ' A' ' 46' ' ' ILE . 20.9 t -54.53 -44.7 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 74.340000000000003 111.129 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -35.12 76.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 72.439999999999998 110.712 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -67.2 -45.89 75.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.549999999999997 110.761 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 21.1 mt -61.65 -48.01 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.12 -0.491 . . . . 63.009999999999998 111.146 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -51.04 -30.7 16.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 73.510000000000005 111.104 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -68.4 -41.55 80.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 70.109999999999999 110.808 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.232 -0.89 . . . . 71.219999999999999 110.718 179.854 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.823 ' N2 ' HD12 ' A' ' 120' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . 0.541 ' O ' ' O1G' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.753 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.897 0.38 . . . . 44.219999999999999 111.14 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.66 149.9 20.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.319999999999993 110.751 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -105.13 108.66 20.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 71.5 110.868 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -97.41 131.66 43.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 62.439999999999998 110.904 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.9 99.1 8.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 63.130000000000003 110.855 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.815 HD13 HD23 ' A' ' 159' ' ' LEU . 12.1 mt -99.01 136.73 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 41.299999999999997 110.944 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 78' ' ' PHE . 3.2 m -110.26 106.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 75.230000000000004 111.151 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.92 145.13 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 54.140000000000001 111.29 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.7 164.25 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 63.219999999999999 110.971 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.57 165.59 35.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.65 -0.786 . . . . 24.420000000000002 112.594 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.38 23.46 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.692 0.282 . . . . 74.099999999999994 111.342 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.65 -85.94 1.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 71.010000000000005 112.641 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.12 58.18 5.05 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 55.530000000000001 112.733 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.581 HG11 ' HB3' ' A' ' 89' ' ' SER . 30.3 m -133.44 20.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 54.439999999999998 111.316 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.12 30.53 73.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 62.439999999999998 112.548 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -58.52 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 70.109999999999999 110.876 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 p -69.51 -28.21 65.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 54.420000000000002 110.92 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.699 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -53.27 -50.48 64.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.383 . . . . 54.329999999999998 111.241 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.04 -40.24 95.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 72.109999999999999 110.82 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.618 HG23 ' CG2' ' A' ' 55' ' ' ILE . 87.0 m -59.68 -57.28 13.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 74.219999999999999 110.927 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.07 -31.65 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 71.099999999999994 110.803 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -65.08 -45.79 83.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 74.109999999999999 110.888 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.775 HD13 ' O ' ' A' ' 23' ' ' LEU . 2.9 tm? -76.71 -13.75 60.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 42.310000000000002 111.377 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.2 mm -99.73 -75.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.67 0.271 . . . . 73.430000000000007 111.321 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -85.13 -27.59 26.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 64.299999999999997 111.305 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 64.42 31.18 12.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 71.120000000000005 110.809 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.13 7.59 10.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 73.349999999999994 111.54 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.5 t80 64.07 134.67 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.841 0.353 . . . . 73.349999999999994 110.464 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.422 HG23 ' HA ' ' A' ' 18' ' ' ALA . 92.8 t -58.31 102.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.13 0.49 . . . . 61.130000000000003 111.394 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -117.89 -21.11 8.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.5 -0.773 . . . . 73.510000000000005 111.629 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -171.06 123.29 0.59 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.764 0.316 . . . . 63.420000000000002 110.358 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -141.2 164.45 30.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 73.010000000000005 110.965 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.17 121.88 61.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 75.519999999999996 110.733 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -77.66 -9.38 17.16 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.506 2.137 . . . . 73.219999999999999 112.625 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 t -76.1 -25.76 55.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.462 -0.335 . . . . 65.409999999999997 111.244 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.694 HD12 ' H ' ' A' ' 38' ' ' ASP . 1.1 pt -104.18 168.96 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.371 . . . . 74.409999999999997 111.363 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.42 -10.68 59.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 51.420000000000002 111.796 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.694 ' H ' HD12 ' A' ' 36' ' ' ILE . 34.9 m-20 61.76 27.81 17.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.898 0.38 . . . . 72.239999999999995 110.974 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 t -94.93 144.94 25.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 71.400000000000006 110.941 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -141.02 171.33 14.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 63.25 110.846 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.49 123.8 10.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 73.030000000000001 110.885 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.456 ' O ' HD13 ' A' ' 52' ' ' LEU . 66.5 tttt -112.83 148.89 33.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 62.439999999999998 110.805 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.5 ' HG3' HD22 ' A' ' 52' ' ' LEU . 30.5 tt0 -99.86 119.55 38.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 72.200000000000003 110.929 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -131.88 175.61 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 62.43 111.109 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -116.91 105.7 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 73.120000000000005 111.044 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.563 ' CD1' HG21 ' A' ' 160' ' ' VAL . 49.1 mt -120.24 140.4 44.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 71.510000000000005 110.963 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t0 65.41 15.86 10.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 43.439999999999998 111.173 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.05 -18.04 52.94 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.728 -0.749 . . . . 71.340000000000003 112.884 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -106.54 145.06 32.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 72.540000000000006 111.179 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.7 m -76.02 136.38 39.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 73.010000000000005 110.678 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 61.6 m -153.75 145.11 23.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 64.319999999999993 110.943 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.753 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -83.18 143.29 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 64.519999999999996 110.751 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 53' ' ' LEU . 28.4 mt -114.87 86.22 2.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 72.439999999999998 110.942 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 96.18 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 71.420000000000002 110.825 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.618 ' CG2' HG23 ' A' ' 20' ' ' THR . 20.2 mm -92.85 110.51 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.129999999999995 111.132 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.46 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -92.41 124.7 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 55.350000000000001 110.622 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -103.73 103.94 13.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 73.129999999999995 110.563 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.46 HG22 HD21 ' A' ' 56' ' ' LEU . 20.9 p -75.23 -178.69 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 62.119999999999997 110.877 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.51 162.5 28.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 41.32 111.184 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.22 -15.51 15.78 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.775 -0.726 . . . . 74.129999999999995 112.655 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -77.01 -24.56 52.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.652 0.263 . . . . 63.100000000000001 111.076 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 66.81 -163.29 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.448 -0.342 . . . . 74.109999999999999 110.782 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 72.76 29.6 1.91 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.852 0.358 . . . . 72.219999999999999 110.975 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -145.88 61.73 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 74.430000000000007 110.812 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.8 p -62.76 -20.99 65.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 63.200000000000003 111.233 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.55 -58.9 5.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.814 0.34 . . . . 75.109999999999999 111.315 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -82.28 -32.86 29.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.299999999999997 110.824 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -33.76 72.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.040000000000006 110.856 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -76.68 -29.73 56.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 110.885 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -67.46 -33.27 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 74.450000000000003 110.924 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -72.32 -35.52 68.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 72.209999999999994 111.212 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.551 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.6 mtt -57.23 -50.77 71.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.844 0.354 . . . . 74.530000000000001 110.702 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.429 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 58.5 mtm-85 -63.53 -21.23 66.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.075 -0.511 . . . . 72.349999999999994 110.971 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.0 p -106.37 14.26 27.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 70.230000000000004 111.337 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -115.39 118.62 4.34 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.496 -0.859 . . . . 71.540000000000006 112.701 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.55 -25.21 63.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.729 0.299 . . . . 75.540000000000006 110.905 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.494 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -143.13 153.69 24.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 73.120000000000005 112.37 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.43 ' CE2' HG21 ' A' ' 7' ' ' VAL . 2.7 m-85 -123.98 125.43 44.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 74.219999999999999 111.076 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.691 HD12 HD22 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -112.19 130.29 55.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 53.420000000000002 110.999 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.782 ' HB3' HD12 ' A' ' 93' ' ' ILE . 57.7 m -107.17 117.0 32.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 63.520000000000003 110.709 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -103.28 113.72 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 71.010000000000005 111.317 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.22 147.76 48.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 63.329999999999998 110.591 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.509 ' HB1' ' HG3' ' A' ' 117' ' ' LYS . . . -98.26 123.85 42.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 64.150000000000006 111.174 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.785 HD12 ' CB ' ' A' ' 123' ' ' ARG . 3.2 pt -60.2 -26.83 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 111.072 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -74.63 -30.65 61.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 65.25 110.945 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -98.87 104.85 16.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.382 -0.372 . . . . 73.030000000000001 111.068 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.6 m -65.23 -23.37 67.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.409999999999997 110.924 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -69.62 -48.45 59.95 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.336 -0.393 . . . . 74.420000000000002 110.594 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.581 ' HB3' HG11 ' A' ' 14' ' ' VAL . 1.9 m -59.61 -30.79 68.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 62.329999999999998 110.782 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -59.6 -41.7 90.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 73.140000000000001 110.75 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.69 -29.18 61.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 72.230000000000004 110.995 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 0.6 OUTLIER -61.9 -31.33 71.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 73.219999999999999 110.821 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.782 HD12 ' HB3' ' A' ' 80' ' ' CYS . 32.1 mm -61.73 -30.81 49.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 74.439999999999998 110.737 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -69.58 -55.4 10.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 74.140000000000001 110.671 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -66.47 -30.03 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 63.439999999999998 111.007 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.7 m-85 -62.48 -40.32 96.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 72.450000000000003 110.924 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.444 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 11.7 ttt85 -66.11 -30.72 71.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 71.140000000000001 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.76 -36.35 83.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 62.210000000000001 110.944 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -63.43 -39.28 94.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 51.43 110.857 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.587 HD12 ' HE1' ' A' ' 111' ' ' MET . 60.1 mt -63.94 -48.65 85.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 65.549999999999997 111.014 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -54.58 -36.02 63.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 111.156 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -62.94 -59.02 5.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 62.039999999999999 111.138 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.551 HG11 ' HB2' ' A' ' 72' ' ' MET . 95.9 t -64.12 -52.61 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 62.409999999999997 110.824 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.43 ' HD2' ' CE1' ' A' ' 78' ' ' PHE . 4.4 mtpm? -62.94 -26.77 68.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 73.310000000000002 110.919 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.3 t0 62.61 46.18 5.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 74.150000000000006 110.868 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.47 161.47 6.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.811 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.17 -56.37 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 65.329999999999998 110.871 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -72.55 85.04 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.129999999999995 110.912 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.51 152.93 58.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 72.120000000000005 111.083 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HB3' ' HA ' ' A' ' 163' ' ' ILE . 42.2 Cg_endo -67.58 113.85 3.09 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.554 2.17 . . . . 72.129999999999995 112.459 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.619 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.2 ptp -165.22 164.59 20.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 62.009999999999998 110.979 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.529 HG13 ' HG2' ' A' ' 140' ' ' PRO . 21.4 t -144.53 152.76 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.140000000000001 111.284 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.65 HD23 ' HB2' ' A' ' 134' ' ' ALA . 5.6 tp -114.83 112.16 22.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 61.310000000000002 110.831 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.714 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 21.9 t -102.68 146.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 75.120000000000005 111.145 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.45 87.72 0.47 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.794 -0.717 . . . . 65.150000000000006 112.57 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.509 HD21 ' HB2' ' A' ' 146' ' ' ALA . 12.5 t-20 -67.35 174.47 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.756 0.312 . . . . 71.129999999999995 110.828 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.879 ' HB3' HD12 ' A' ' 120' ' ' LEU . 11.4 mmtm 62.94 45.1 5.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 71.510000000000005 110.889 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 12.3 t -81.94 -22.49 36.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 64.340000000000003 111.241 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -90.94 -19.01 23.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.444 -0.344 . . . . 74.310000000000002 111.466 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.879 HD12 ' HB3' ' A' ' 117' ' ' LYS . 5.7 mt -48.03 142.49 5.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.772 0.32 . . . . 74.510000000000005 111.09 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -92.7 19.29 7.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 65.420000000000002 111.563 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.31 69.83 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.818 0.342 . . . . 64.430000000000007 110.968 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.785 ' CB ' HD12 ' A' ' 84' ' ' ILE . 6.5 ptp85 -89.0 132.75 34.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 74.140000000000001 110.926 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.9 p -103.95 -46.76 4.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 65.420000000000002 110.733 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.2 t -94.53 103.95 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 73.349999999999994 110.904 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -59.43 161.5 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 71.420000000000002 110.954 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.3 p -61.87 -40.65 96.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 62.350000000000001 111.043 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -55.8 -43.71 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.230000000000004 110.982 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -66.22 -35.93 81.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -35.92 67.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 111.152 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -35.5 76.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 72.319999999999993 110.866 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.46 -44.44 89.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.843 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.553 HD22 ' O ' ' A' ' 133' ' ' LEU . 1.1 tm? -68.26 -51.76 41.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.258 -0.428 . . . . 74.510000000000005 111.047 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.65 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -62.38 -32.39 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 75.239999999999995 110.993 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -65.12 -26.19 68.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 73.120000000000005 111.1 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.1 m -74.62 -28.82 61.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.954 0.407 . . . . 70.510000000000005 110.726 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.482 ' HE2' HD11 ' A' ' 133' ' ' LEU . 23.1 m-85 -83.2 -21.56 33.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.969 -0.56 . . . . 71.140000000000001 111.097 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.44 16.29 64.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.715 -0.755 . . . . 64.230000000000004 112.631 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.619 HG21 ' HG3' ' A' ' 111' ' ' MET . 29.4 pt -107.91 153.79 41.44 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.723 0.297 . . . . 74.049999999999997 111.361 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.529 ' HG2' HG13 ' A' ' 112' ' ' VAL . 56.1 Cg_endo -69.96 150.21 66.67 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.581 2.187 . . . . 71.340000000000003 112.281 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -124.9 118.53 26.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 72.400000000000006 110.804 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.951 HD11 HG21 ' A' ' 158' ' ' THR . 4.8 mp -117.05 145.06 23.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 72.230000000000004 110.952 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -110.89 131.23 55.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 62.439999999999998 110.819 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 150' ' ' GLN . 19.1 p -146.21 177.81 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.407 . . . . 75.049999999999997 111.275 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.93 127.31 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 72.230000000000004 110.818 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.699 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.82 -18.44 62.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 71.120000000000005 111.493 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -90.63 -51.61 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.555 -0.293 . . . . 72.439999999999998 111.295 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 149' ' ' ARG . 25.3 p -93.63 13.43 22.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.556 -0.293 . . . . 50.140000000000001 111.637 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 148' ' ' THR . 0.6 OUTLIER 28.25 63.56 0.11 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.129 0.418 . . . . 72.510000000000005 112.129 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 144' ' ' THR . 6.5 tt0 -110.47 108.1 17.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 71.209999999999994 111.16 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 75.9 12.91 83.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 64.409999999999997 112.989 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 59.0 t -57.18 -54.16 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-O 120.794 0.331 . . . . 74.150000000000006 111.062 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.446 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 4.4 mt-10 -59.99 -27.4 66.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 52.329999999999998 110.659 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -55.94 26.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 54.0 110.707 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.714 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -51.8 -47.53 64.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 74.129999999999995 111.345 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.21 -51.13 70.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 75.510000000000005 110.912 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.5 m-85 -58.32 -34.27 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 71.420000000000002 111.058 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.951 HG21 HD11 ' A' ' 142' ' ' ILE . 4.7 m -57.13 -44.53 83.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.35 -0.386 . . . . 54.0 110.855 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.815 HD23 HD13 ' A' ' 6' ' ' LEU . 55.7 tp -59.85 -44.68 93.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 71.099999999999994 110.738 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' A' ' 46' ' ' ILE . 24.1 t -53.85 -37.77 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 111.071 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -76.39 -34.44 58.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 74.319999999999993 110.731 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.38 -43.58 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.019999999999996 110.873 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.404 ' HA ' ' HB3' ' A' ' 110' ' ' PRO . 67.7 mt -59.54 -51.15 76.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.254 -0.43 . . . . 64.150000000000006 111.24 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -57.63 -33.47 68.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 71.420000000000002 110.95 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -30.98 69.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 53.299999999999997 110.886 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 61.9 t60 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.228 -0.892 . . . . 65.439999999999998 110.818 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.782 ' PA ' " H2'" ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.463 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 121.055 0.455 . . . . 54.240000000000002 111.371 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.06 146.72 37.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.829 -0.623 . . . . 74.120000000000005 110.813 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.47 132.45 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 63.130000000000003 110.802 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -122.19 112.45 18.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 74.209999999999994 110.937 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 100.72 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 70.340000000000003 110.724 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.698 HD13 ' CD1' ' A' ' 55' ' ' ILE . 0.8 OUTLIER -94.23 126.63 39.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.109999999999999 111.091 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.404 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 94.4 t -112.48 103.46 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.024 -0.535 . . . . 71.430000000000007 110.951 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.7 t -77.31 140.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 72.319999999999993 111.057 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.6 m -143.89 -177.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.140000000000001 111.159 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.9 -174.89 15.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.722 . . . . 71.219999999999999 112.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.14 160.78 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 73.340000000000003 111.08 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.426 ' HA2' ' HA3' ' A' ' 60' ' ' GLY . . . -47.97 -83.67 0.02 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.838 -0.696 . . . . 74.129999999999995 112.587 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.41 -102.99 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.648 -0.787 . . . . 51.240000000000002 112.096 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.419 HG11 ' HB3' ' A' ' 89' ' ' SER . 35.1 m 42.22 30.83 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.803 0.335 . . . . 72.099999999999994 111.865 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 53.76 38.78 60.07 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.839 -0.696 . . . . 73.349999999999994 112.649 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -74.59 -58.4 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 73.239999999999995 110.998 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -37.07 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 55.130000000000003 110.861 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.91 -34.42 73.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 61.240000000000002 111.043 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.748 HD23 HG13 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -61.06 -38.66 86.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 62.350000000000001 110.841 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.535 HG23 HG21 ' A' ' 55' ' ' ILE . 83.8 m -68.21 -35.69 78.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 73.230000000000004 110.897 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.409 HG13 HG12 ' A' ' 29' ' ' VAL . 37.2 mm -62.08 -43.83 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 72.310000000000002 111.179 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.698 ' HB2' HG11 ' A' ' 152' ' ' VAL . 51.0 mm-40 -59.34 -45.84 90.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 75.239999999999995 111.029 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 23' ' ' LEU . 3.1 tm? -71.62 -45.85 60.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 75.219999999999999 111.026 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.6 mm -66.91 -76.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 53.210000000000001 111.249 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.1 mt-30 -89.6 -97.2 0.1 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.561 -0.291 . . . . 74.409999999999997 111.055 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 3.4 m-20 166.36 43.28 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.827 0.346 . . . . 63.240000000000002 110.846 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -148.76 -170.58 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 73.430000000000007 111.119 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.477 ' CZ ' " H2'" ' A' ' 219' ' ' GNP . 1.0 OUTLIER -118.16 100.96 7.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 74.0 110.757 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.409 HG12 HG13 ' A' ' 21' ' ' ILE . 0.3 OUTLIER -88.17 145.88 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 71.209999999999994 111.264 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -88.32 -65.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 73.510000000000005 110.775 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.48 79.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 71.239999999999995 110.933 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -138.24 145.21 41.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 62.240000000000002 110.859 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.85 118.65 7.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 73.099999999999994 110.668 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.596 ' HD2' HD12 ' A' ' 36' ' ' ILE . 47.7 Cg_endo -68.25 -40.33 8.68 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.445 2.097 . . . . 65.530000000000001 112.178 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.79 43.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 54.130000000000003 110.864 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.596 HD12 ' HD2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -137.98 176.98 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 74.010000000000005 111.157 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -93.85 47.37 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 72.200000000000003 111.005 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 51.49 25.92 2.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.173 -0.467 . . . . 73.340000000000003 111.352 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.2 m -117.67 162.64 17.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.387 . . . . 61.240000000000002 111.007 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.49 174.5 13.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 71.510000000000005 110.754 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.55 155.38 41.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.420000000000002 110.828 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -155.07 147.34 23.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.140000000000001 110.944 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -100.3 122.63 43.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 71.299999999999997 110.809 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.4 m -134.97 -178.06 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 63.299999999999997 111.197 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -118.05 100.84 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 75.230000000000004 111.117 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.669 HG13 HG11 ' A' ' 160' ' ' VAL . 12.9 mm -83.55 105.77 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.239999999999995 110.983 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.2 t0 59.44 37.77 22.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 70.109999999999999 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.55 -6.35 82.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 31.25 112.841 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.78 114.28 27.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 73.409999999999997 110.983 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.5 m -70.66 121.47 17.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 74.400000000000006 110.983 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.5 m -148.7 149.85 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 70.109999999999999 110.891 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.463 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -78.83 141.96 37.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 64.040000000000006 110.945 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.6 mt -121.98 93.36 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 61.5 110.805 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.12 95.7 10.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 70.129999999999995 110.892 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.698 ' CD1' HD13 ' A' ' 6' ' ' LEU . 13.0 mm -85.44 111.02 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 73.310000000000002 111.024 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.592 HD21 ' CG2' ' A' ' 58' ' ' THR . 2.1 tt -101.89 119.52 38.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.242 -0.436 . . . . 64.409999999999997 110.714 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -117.54 98.31 6.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 44.32 110.754 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.592 ' CG2' HD21 ' A' ' 56' ' ' LEU . 17.7 p -78.98 -173.74 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 62.549999999999997 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.44 159.85 5.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 73.0 111.217 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.426 ' HA3' ' HA2' ' A' ' 12' ' ' GLY . . . -115.18 -31.83 1.96 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 71.209999999999994 112.564 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.55 85.7 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 72.329999999999998 110.871 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.37 171.77 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.530000000000001 110.847 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -110.58 46.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 75.140000000000001 110.879 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -97.76 82.88 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 110.935 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.34 -24.05 24.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 111.096 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.99 -63.62 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.921 0.391 . . . . 73.439999999999998 111.311 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.408 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 15.2 ptp -63.13 -30.72 71.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 54.399999999999999 110.97 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -25.41 44.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 62.32 111.121 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.18 -24.95 34.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 73.219999999999999 111.238 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 74' ' ' THR . 5.0 pt20 -80.77 -39.81 26.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 61.420000000000002 110.999 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 14.5 m-85 -74.17 -53.17 10.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 75.340000000000003 110.981 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.1 mtt -54.94 -46.76 75.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 65.5 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 58.9 mtp180 -62.91 -24.44 67.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 70.409999999999997 111.067 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 70' ' ' GLN . 73.8 p -100.55 -9.9 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 111.418 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.404 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -81.96 132.1 10.9 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.624 -0.798 . . . . 73.200000000000003 112.857 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.04 -21.7 58.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 63.340000000000003 110.859 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.58 -171.7 23.07 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.889 -0.672 . . . . 62.130000000000003 112.418 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.583 ' CE2' HG23 ' A' ' 100' ' ' ILE . 93.6 m-85 -150.26 135.15 17.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 72.5 110.904 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.854 HD12 HD23 ' A' ' 159' ' ' LEU . 0.4 OUTLIER -116.75 115.79 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 74.340000000000003 111.039 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.79 ' HB3' HD12 ' A' ' 93' ' ' ILE . 75.3 m -93.68 119.07 32.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.010000000000005 110.761 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.702 HG22 ' CG2' ' A' ' 114' ' ' VAL . 49.1 t -113.06 130.02 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.462 . . . . 74.239999999999995 111.145 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.587 ' HD1' HD11 ' A' ' 113' ' ' LEU . 7.8 p90 -139.18 151.78 46.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 54.420000000000002 111.014 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.96 124.06 40.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.329999999999998 111.103 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.841 HD12 ' CB ' ' A' ' 123' ' ' ARG . 10.3 pt -59.9 -32.18 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 71.129999999999995 111.092 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' HG13 ' A' ' 84' ' ' ILE . 0.9 OUTLIER -67.11 -19.15 65.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.51 . . . . 74.319999999999993 111.15 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -119.61 103.31 9.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.365 -0.38 . . . . 65.019999999999996 110.866 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.52 HG23 HG22 ' A' ' 125' ' ' VAL . 2.9 m -64.15 -22.87 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 65.510000000000005 111.096 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -64.78 -43.13 94.25 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.859 0.361 . . . . 72.409999999999997 110.655 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.419 ' HB3' HG11 ' A' ' 14' ' ' VAL . 15.2 m -60.74 -39.3 88.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 73.030000000000001 110.74 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 130' ' ' ALA . 26.2 t80 -59.18 -25.25 63.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 72.319999999999993 110.996 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.37 -34.71 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 60.229999999999997 111.04 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.72 -34.89 78.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 73.310000000000002 110.992 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.79 HD12 ' HB3' ' A' ' 80' ' ' CYS . 27.3 mm -59.6 -27.71 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.406 . . . . 73.209999999999994 111.007 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -74.21 -55.33 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.219999999999999 110.806 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -67.39 -29.05 68.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 65.299999999999997 111.063 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.84 -43.42 94.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 73.140000000000001 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -58.15 -40.78 82.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 72.430000000000007 110.863 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.92 -28.22 49.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.439999999999998 111.116 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -76.15 -42.13 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 74.530000000000001 110.892 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.583 HG23 ' CE2' ' A' ' 78' ' ' PHE . 49.3 mt -64.78 -46.31 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 75.120000000000005 110.941 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -57.48 -28.89 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 54.450000000000003 110.924 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -70.75 -58.59 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 71.430000000000007 110.806 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.425 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 39.0 t -57.08 -56.65 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 62.32 111.052 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -63.1 -20.58 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 73.400000000000006 111.029 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 61.58 46.53 7.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 60.109999999999999 110.886 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.18 154.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.120000000000005 111.013 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -81.06 -41.01 23.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 71.340000000000003 110.673 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -70.08 94.95 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 72.310000000000002 110.711 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.517 HG13 ' HD2' ' A' ' 110' ' ' PRO . 61.2 t -131.61 136.14 28.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 74.109999999999999 110.769 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.517 ' HD2' HG13 ' A' ' 109' ' ' VAL . 58.6 Cg_endo -73.01 100.91 1.26 Allowed 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.809 2.339 . . . . 73.420000000000002 112.344 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.579 ' HG3' HG21 ' A' ' 139' ' ' ILE . 10.6 ptp -144.91 170.36 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 71.439999999999998 110.837 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.914 HG23 HD22 ' A' ' 159' ' ' LEU . 42.9 t -143.87 146.76 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 73.420000000000002 111.127 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.587 HD11 ' HD1' ' A' ' 82' ' ' PHE . 9.4 tp -113.79 131.41 56.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 72.349999999999994 110.719 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.702 ' CG2' HG22 ' A' ' 81' ' ' VAL . 5.2 m -123.99 158.9 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 62.149999999999999 111.497 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.23 75.82 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.897 -0.668 . . . . 75.319999999999993 112.257 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -48.97 159.0 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 65.129999999999995 111.24 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.606 ' HG2' HD12 ' A' ' 120' ' ' LEU . 0.6 OUTLIER 64.36 61.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 75.329999999999998 110.882 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 15.1 t -104.05 20.76 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.513 . . . . 64.409999999999997 111.026 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -116.78 -38.72 3.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 75.549999999999997 110.921 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.606 HD12 ' HG2' ' A' ' 117' ' ' LYS . 40.8 mt -54.15 151.57 6.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 71.299999999999997 110.956 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.08 36.96 1.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 64.400000000000006 111.249 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.63 74.52 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 52.119999999999997 111.06 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.841 ' CB ' HD12 ' A' ' 84' ' ' ILE . 6.9 ptp85 -99.53 135.08 41.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 75.439999999999998 110.905 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.8 p -105.37 -27.89 11.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 63.450000000000003 110.791 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.52 HG22 HG23 ' A' ' 87' ' ' THR . 86.7 t -111.13 96.33 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.075 -0.511 . . . . 61.310000000000002 110.759 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -56.07 164.4 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 72.349999999999994 111.044 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 m -60.98 -39.41 89.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 71.510000000000005 110.959 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -58.58 -50.04 75.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 70.219999999999999 110.926 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.05 -41.77 88.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 73.109999999999999 111.0 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . . . -72.31 -42.8 65.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 73.129999999999995 111.059 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -31.82 73.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 110.826 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.19 -35.94 76.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 71.430000000000007 110.686 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.674 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 52.9 tp -78.68 -50.72 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.120000000000005 110.745 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.2 -35.74 72.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 44.439999999999998 110.936 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -69.24 -26.87 65.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 75.030000000000001 110.83 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -37.34 62.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 74.340000000000003 110.522 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.674 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 23.1 m-85 -77.79 -15.08 59.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.914 -0.585 . . . . 73.019999999999996 111.104 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.76 20.35 68.54 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.685 -0.769 . . . . 74.519999999999996 112.427 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.579 HG21 ' HG3' ' A' ' 111' ' ' MET . 7.8 pt -110.17 156.81 39.51 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.828 0.346 . . . . 74.109999999999999 111.645 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.445 ' HG2' HG13 ' A' ' 112' ' ' VAL . 58.2 Cg_endo -72.85 152.01 51.79 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.614 2.209 . . . . 74.409999999999997 112.318 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -122.44 117.29 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 110.745 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.956 HD11 HG21 ' A' ' 158' ' ' THR . 2.2 mp -118.52 151.04 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 60.539999999999999 111.023 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -112.01 117.88 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.397 . . . . 74.219999999999999 111.101 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 151' ' ' GLY . 75.2 p -128.34 163.85 23.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.310000000000002 111.104 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 81.9 p -136.1 117.81 15.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 65.010000000000005 110.846 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.03 -13.94 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 53.25 111.586 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -96.97 -66.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 75.010000000000005 111.204 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -70.51 -21.66 62.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 64.219999999999999 111.405 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 63.48 73.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.905 0.383 . . . . 75.209999999999994 110.755 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -125.86 115.24 19.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 71.230000000000004 110.837 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.529 ' O ' HG22 ' A' ' 144' ' ' THR . . . 65.12 14.82 59.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.677 -0.773 . . . . 70.519999999999996 112.843 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.748 HG13 HD23 ' A' ' 19' ' ' LEU . 36.0 t -50.36 -55.2 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 71.150000000000006 111.203 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.449 ' HA ' HD23 ' A' ' 23' ' ' LEU . 2.9 mt-10 -63.53 -27.44 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.804 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -51.46 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 75.239999999999995 110.889 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.638 ' HB1' HG11 ' A' ' 114' ' ' VAL . . . -59.78 -48.74 80.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 70.150000000000006 111.125 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.518 ' HE1' HD22 ' A' ' 19' ' ' LEU . 7.8 m-85 -57.55 -51.03 71.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.519999999999996 110.864 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.8 m-85 -55.97 -36.06 67.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 72.040000000000006 110.897 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.956 HG21 HD11 ' A' ' 142' ' ' ILE . 7.8 m -58.15 -38.29 76.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 55.340000000000003 110.844 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.914 HD22 HG23 ' A' ' 112' ' ' VAL . 0.2 OUTLIER -60.55 -37.49 81.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 74.430000000000007 110.828 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.669 HG11 HG13 ' A' ' 46' ' ' ILE . 7.6 t -64.6 -40.66 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 72.319999999999993 111.064 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -37.68 75.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 51.140000000000001 110.969 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.95 -51.56 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 74.340000000000003 110.964 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.43 -44.89 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.371 -0.377 . . . . 70.239999999999995 111.338 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -53.78 -40.85 66.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 75.310000000000002 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -29.82 64.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 71.400000000000006 110.955 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.123 -0.942 . . . . 72.519999999999996 110.998 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.477 " H2'" ' CZ ' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.847 0.356 . . . . 71.310000000000002 111.145 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.03 145.48 45.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 75.310000000000002 110.853 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -98.65 110.41 23.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.907 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -98.94 114.44 27.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 110.878 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 99.65 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 74.540000000000006 110.765 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.866 HD22 HD12 ' A' ' 159' ' ' LEU . 24.1 mt -93.02 128.08 38.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 74.549999999999997 110.993 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.417 ' HB ' ' CD2' ' A' ' 78' ' ' PHE . 70.4 t -97.38 102.16 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.019999999999996 111.121 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 t -84.55 142.11 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 65.230000000000004 111.078 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.8 m -145.68 163.98 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 63.149999999999999 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.47 163.86 11.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.763 . . . . 64.430000000000007 112.522 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.8 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -63.26 161.35 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 73.340000000000003 111.16 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.28 -18.61 60.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 35.399999999999999 112.807 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.92 41.79 2.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 75.540000000000006 112.603 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 11' ' ' ALA . 33.9 m -111.11 -28.34 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.764 0.316 . . . . 53.340000000000003 111.302 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.0 26.29 22.32 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.693 -0.765 . . . . 72.0 112.427 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 258' ' ' HOH . 11.9 pttt -58.6 -47.87 82.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 75.310000000000002 111.003 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 p -66.94 -32.14 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 45.130000000000003 110.89 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.31 86.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 72.230000000000004 111.108 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.532 HD11 ' CG ' ' A' ' 116' ' ' ASN . 2.6 mt -66.6 -32.55 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 74.310000000000002 110.979 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.732 HG23 HG21 ' A' ' 55' ' ' ILE . 89.2 m -61.2 -56.35 21.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 75.430000000000007 110.978 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.17 -31.96 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.283 -0.417 . . . . 64.010000000000005 110.755 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -60.23 -46.92 88.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 71.129999999999995 110.655 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.727 HD13 ' O ' ' A' ' 23' ' ' LEU . 3.0 tm? -76.93 -19.67 57.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 61.240000000000002 111.191 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mm -90.49 -77.32 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.481 -0.327 . . . . 73.409999999999997 111.443 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.439 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 41.4 mt-30 -87.27 -28.6 22.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.508 -0.314 . . . . 63.240000000000002 111.304 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.79 54.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 50.32 111.202 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 25' ' ' GLN . 7.2 p80 -147.49 14.97 1.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.378 -0.374 . . . . 72.540000000000006 111.576 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.493 ' CZ ' " O2'" ' A' ' 219' ' ' GNP . 2.4 t80 63.02 136.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.735 0.303 . . . . 73.200000000000003 110.449 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.41 134.6 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.95 0.405 . . . . 64.200000000000003 110.91 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 178.05 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.848 -0.615 . . . . 73.209999999999994 110.655 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -117.81 80.25 1.48 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.184 -0.462 . . . . 63.240000000000002 110.936 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -142.78 142.22 31.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 110.791 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.04 148.96 41.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.36 -0.382 . . . . 63.210000000000001 111.03 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.56 -164.93 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.568 2.178 . . . . 75.150000000000006 112.23 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t 69.92 17.06 7.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.332 -0.394 . . . . 74.019999999999996 111.191 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 pt -136.22 10.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.476 -0.329 . . . . 60.409999999999997 111.43 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER 62.15 15.98 7.92 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.531 -0.304 . . . . 72.430000000000007 111.382 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 48.91 28.06 1.83 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.763 0.316 . . . . 73.200000000000003 111.41 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.2 t -107.51 151.85 25.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 75.200000000000003 111.154 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -152.76 141.65 21.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.032 -0.531 . . . . 61.299999999999997 110.67 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.5 126.9 52.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 72.030000000000001 110.82 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -116.02 149.75 38.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 73.549999999999997 110.996 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -89.89 120.68 31.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 73.150000000000006 110.727 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.3 175.79 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 63.140000000000001 111.196 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.402 HG12 ' CA ' ' A' ' 48' ' ' GLY . 21.9 t -120.86 100.83 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 75.209999999999994 111.094 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.7 HG13 HG11 ' A' ' 160' ' ' VAL . 19.0 mm -81.91 102.41 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 74.219999999999999 111.106 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.3 t0 59.44 35.93 23.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 61.43 110.851 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.402 ' CA ' HG12 ' A' ' 45' ' ' VAL . . . 90.89 -4.1 81.44 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.692 -0.766 . . . . 55.140000000000001 112.838 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -103.34 107.37 18.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.776 0.322 . . . . 43.399999999999999 110.909 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.0 m -60.77 120.38 10.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 75.040000000000006 110.857 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 91.5 m -149.31 147.93 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.030000000000001 111.021 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -83.46 151.7 25.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 52.43 110.698 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.6 mt -122.22 79.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 71.540000000000006 111.0 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.7 94.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 62.140000000000001 110.729 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.732 HG21 HG23 ' A' ' 20' ' ' THR . 11.6 mm -80.58 108.66 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 74.319999999999993 111.267 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.557 ' C ' HD13 ' A' ' 56' ' ' LEU . 3.4 tm? -89.78 100.99 13.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 70.310000000000002 110.738 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.17 105.76 15.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 74.430000000000007 111.009 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.9 p -81.03 -173.79 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 64.340000000000003 110.809 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.84 162.47 29.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 74.239999999999995 111.072 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.0 -38.05 2.07 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.723 -0.751 . . . . 61.420000000000002 112.479 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -112.4 -34.33 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 75.120000000000005 110.98 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.56 106.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 63.240000000000002 110.86 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -58.72 118.07 5.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 53.119999999999997 110.989 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -157.64 120.78 3.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 64.420000000000002 110.858 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.8 p -116.64 -36.94 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.340000000000003 110.893 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.52 -56.37 22.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 75.299999999999997 111.077 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.2 null -71.09 -29.86 65.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 74.540000000000006 110.823 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 -62.64 -30.25 71.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 74.439999999999998 110.869 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -31.2 44.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 74.319999999999993 110.983 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 74' ' ' THR . 2.0 pt20 -65.4 -33.16 75.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 54.119999999999997 110.772 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -69.08 -44.56 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 71.530000000000001 110.782 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.567 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.7 mtt -57.73 -50.31 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 53.329999999999998 110.653 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.4 mtp85 -63.96 -21.58 66.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 54.25 111.052 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 70' ' ' GLN . 77.9 p -104.59 2.55 30.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.43 . . . . 73.519999999999996 111.446 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.22 139.5 14.83 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.562 -0.828 . . . . 74.310000000000002 112.797 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.03 -18.66 31.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.708 0.289 . . . . 73.129999999999995 111.083 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.411 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -153.17 168.14 31.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 72.120000000000005 112.374 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.528 ' O ' HD21 ' A' ' 159' ' ' LEU . 57.9 m-85 -133.69 139.07 46.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.371 . . . . 73.109999999999999 110.949 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.727 HD12 HD23 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -122.55 129.36 51.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 73.549999999999997 110.828 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.86 ' HB3' HD12 ' A' ' 93' ' ' ILE . 6.6 m -106.77 107.4 18.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 74.549999999999997 110.906 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.493 HG11 HD12 ' A' ' 19' ' ' LEU . 67.3 t -99.15 107.32 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 52.299999999999997 111.083 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.439 ' HB3' HD11 ' A' ' 93' ' ' ILE . 0.2 OUTLIER -116.13 149.83 38.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.622 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.47 123.66 39.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 73.209999999999994 111.059 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.758 HD12 ' CB ' ' A' ' 123' ' ' ARG . 2.5 pt -65.23 -23.87 34.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 71.530000000000001 111.179 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.49 ' O ' HG23 ' A' ' 124' ' ' THR . 1.0 OUTLIER -75.92 -13.55 60.26 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.257 -0.429 . . . . 73.129999999999995 111.252 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -124.82 122.11 36.48 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.831 0.348 . . . . 53.229999999999997 110.93 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -70.74 -30.09 66.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 64.319999999999993 110.905 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -59.52 -45.1 92.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 73.439999999999998 110.959 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.506 ' HB3' HG12 ' A' ' 14' ' ' VAL . 16.9 m -57.53 -38.85 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 62.420000000000002 110.911 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 16.4 t80 -63.04 -29.5 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 51.229999999999997 110.817 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.34 -26.95 46.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 72.230000000000004 111.091 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.03 -34.42 71.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 71.010000000000005 110.965 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.86 HD12 ' HB3' ' A' ' 80' ' ' CYS . 24.8 mm -58.74 -28.08 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 72.420000000000002 110.918 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -73.37 -55.33 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 74.439999999999998 110.758 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -68.55 -29.07 67.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.430000000000007 111.127 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -63.88 -47.81 79.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 65.439999999999998 110.975 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.421 ' HD3' ' CE1' ' A' ' 137' ' ' TYR . 1.8 ttp180 -62.22 -30.42 71.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 64.430000000000007 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.85 -31.38 72.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.395 . . . . 53.329999999999998 110.936 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -68.76 -34.77 76.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 74.5 111.071 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.9 mt -71.56 -41.57 72.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.200000000000003 111.117 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.538 ' HZ1' HG22 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -55.64 -32.94 63.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 74.510000000000005 110.966 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -71.58 -56.83 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 73.420000000000002 110.746 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.567 HG11 ' HB2' ' A' ' 72' ' ' MET . 25.6 t -59.34 -59.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 71.430000000000007 111.088 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -61.86 -26.5 68.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.420000000000002 110.896 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.7 t0 62.82 44.99 5.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.97 0.414 . . . . 64.340000000000003 110.707 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.46 140.78 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 71.530000000000001 110.804 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -74.12 -41.97 60.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 74.329999999999998 111.106 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -80.55 88.43 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 53.530000000000001 111.003 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.538 HG22 ' HZ1' ' A' ' 101' ' ' LYS . 21.5 m -126.68 152.91 75.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 72.129999999999995 111.18 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.98 108.24 2.27 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.562 2.175 . . . . 63.25 112.379 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.683 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.2 ptp -159.1 166.35 31.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 72.349999999999994 110.944 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.777 HG23 HD22 ' A' ' 159' ' ' LEU . 24.2 t -144.22 150.96 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.0 111.282 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.783 HD22 HG21 ' A' ' 93' ' ' ILE . 6.3 tp -115.48 114.41 24.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 70.209999999999994 110.65 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.737 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 22.0 t -105.91 146.64 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 73.230000000000004 111.269 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.5 82.89 0.31 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.917 -0.659 . . . . 53.119999999999997 112.294 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.532 ' CG ' HD11 ' A' ' 19' ' ' LEU . 20.3 t-20 -57.51 171.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 73.409999999999997 111.095 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.438 ' O ' HD11 ' A' ' 84' ' ' ILE . 10.4 mtmm 62.63 58.59 1.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 75.25 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.1 t -96.46 -21.78 17.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 73.450000000000003 110.943 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.02 -23.93 28.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.262 -0.426 . . . . 74.409999999999997 111.185 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.4 mt -50.06 163.76 0.14 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.444 -0.344 . . . . 74.120000000000005 111.113 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.78 24.51 11.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 53.140000000000001 111.362 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.64 72.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 71.409999999999997 111.221 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.758 ' CB ' HD12 ' A' ' 84' ' ' ILE . 10.6 ptm180 -93.53 134.07 36.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 72.109999999999999 110.852 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 85' ' ' ASN . 15.6 p -97.76 -50.61 4.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 70.129999999999995 110.684 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.0 t -92.62 102.85 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.578 . . . . 64.420000000000002 110.858 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.58 161.39 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 64.310000000000002 111.011 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.7 p -59.14 -37.43 77.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.513 . . . . 44.310000000000002 111.09 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -57.2 -48.27 79.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 73.319999999999993 110.939 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -59.39 -42.84 92.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.039 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.42 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -67.46 -37.15 82.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 70.25 111.215 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -33.62 76.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 73.430000000000007 111.015 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.55 -45.85 88.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 65.519999999999996 111.007 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.679 HD21 ' CZ ' ' A' ' 137' ' ' TYR . 1.1 tm? -68.63 -51.78 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.239999999999995 111.081 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.542 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -58.61 -44.07 89.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 73.120000000000005 111.145 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -58.78 -25.94 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 63.5 111.089 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.9 t -75.19 -30.28 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 71.310000000000002 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.679 ' CZ ' HD21 ' A' ' 133' ' ' LEU . 21.7 m-85 -83.32 -22.25 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 74.219999999999999 111.054 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.1 15.33 62.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.692 -0.765 . . . . 73.120000000000005 112.622 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.683 HG21 ' HG3' ' A' ' 111' ' ' MET . 21.1 pt -107.76 152.84 41.71 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.764 0.316 . . . . 74.519999999999996 111.288 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HG2' HG13 ' A' ' 112' ' ' VAL . 43.7 Cg_endo -68.22 152.88 75.65 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.556 2.171 . . . . 73.439999999999998 112.324 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -127.09 118.61 24.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 71.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.77 HD11 HG21 ' A' ' 158' ' ' THR . 4.9 mp -118.5 150.02 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 71.109999999999999 110.991 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -113.71 130.64 56.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 71.150000000000006 110.789 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 151' ' ' GLY . 34.7 p -142.3 175.06 10.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.91 0.386 . . . . 74.340000000000003 111.313 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.81 119.73 13.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 74.439999999999998 110.817 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.82 -18.92 65.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 43.5 111.488 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -83.73 -57.7 3.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.51 -0.314 . . . . 74.510000000000005 111.313 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 56.8 p -92.77 6.98 45.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 72.310000000000002 111.413 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.406 ' HA ' ' CG2' ' A' ' 152' ' ' VAL . 6.0 ptm180 42.67 45.93 4.2 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.865 0.364 . . . . 75.400000000000006 111.396 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -83.13 122.47 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 73.510000000000005 111.135 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.503 ' O ' HG22 ' A' ' 144' ' ' THR . . . 52.44 23.22 12.74 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.886 -0.673 . . . . 62.039999999999999 113.045 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 149' ' ' ARG . 3.8 t -59.59 -50.29 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-O 120.894 0.378 . . . . 53.420000000000002 110.831 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.401 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 4.1 mp0 -61.29 -31.91 71.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 71.329999999999998 110.851 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -56.22 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 71.200000000000003 110.995 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.737 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -55.25 -43.47 74.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 63.420000000000002 111.23 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.8 -52.58 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 64.129999999999995 110.862 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 153' ' ' GLU . 15.6 m-85 -53.33 -32.51 49.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 74.109999999999999 111.109 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.77 HG21 HD11 ' A' ' 142' ' ' ILE . 7.4 m -58.64 -32.01 68.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 71.549999999999997 110.887 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.866 HD12 HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -69.35 -34.16 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 65.439999999999998 110.9 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.7 HG11 HG13 ' A' ' 46' ' ' ILE . 5.3 t -67.03 -50.36 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 72.349999999999994 111.182 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.84 -38.17 78.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 71.120000000000005 110.927 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.01 -53.03 62.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 62.32 110.888 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.435 HD11 HD12 ' A' ' 159' ' ' LEU . 75.0 mt -60.01 -37.27 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.189 -0.46 . . . . 71.239999999999995 111.387 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -44.76 70.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 74.219999999999999 111.078 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -61.95 -38.75 89.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 63.329999999999998 110.885 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.227 -0.892 . . . . 74.049999999999997 110.915 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.493 " O2'" ' CZ ' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . 0.442 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.527 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.771 0.319 . . . . 71.540000000000006 111.169 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.52 149.86 49.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 62.140000000000001 110.729 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -107.63 123.66 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 63.43 110.878 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -111.12 106.36 15.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 75.030000000000001 111.044 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -89.36 93.04 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 60.530000000000001 110.846 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.563 HD22 HD12 ' A' ' 159' ' ' LEU . 12.8 mt -84.39 122.26 28.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 73.230000000000004 111.112 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.544 HG23 ' HA3' ' A' ' 75' ' ' GLY . 99.5 t -98.12 102.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 53.329999999999998 110.88 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -79.73 139.28 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 63.329999999999998 111.043 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -137.58 152.13 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 64.219999999999999 111.033 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 158.57 161.83 11.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 41.229999999999997 112.529 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.817 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -61.18 159.71 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 71.450000000000003 111.04 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.52 -20.41 55.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.695 -0.764 . . . . 41.549999999999997 112.755 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.79 46.63 1.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.673 -0.775 . . . . 74.230000000000004 112.783 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 11' ' ' ALA . 34.9 m -118.46 -6.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.575 0.226 . . . . 54.420000000000002 111.608 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.06 40.67 97.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.627 -0.797 . . . . 35.310000000000002 112.41 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HA ' HD21 ' A' ' 19' ' ' LEU . 3.5 ptpt -71.04 -34.43 71.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.765 0.317 . . . . 74.209999999999994 110.861 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -32.33 64.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 44.25 111.007 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.585 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -62.87 -58.11 8.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 63.149999999999999 111.207 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD21 HG11 ' A' ' 81' ' ' VAL . 3.1 pp -56.31 -32.45 64.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.481 . . . . 74.209999999999994 111.073 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.875 HG23 HG21 ' A' ' 55' ' ' ILE . 93.0 m -70.35 -51.89 26.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 73.030000000000001 110.774 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.419 ' CD1' HG21 ' A' ' 29' ' ' VAL . 1.2 mm -58.01 -39.65 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 75.109999999999999 111.075 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -59.98 -41.47 92.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.389 . . . . 74.450000000000003 110.972 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 23' ' ' LEU . 2.7 tm? -76.65 -11.07 59.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 73.439999999999998 111.28 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -103.09 -75.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.76 0.314 . . . . 73.049999999999997 111.319 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -90.83 -19.12 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.373 . . . . 62.340000000000003 111.644 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 69.99 66.77 0.23 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.858 0.361 . . . . 74.0 111.026 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.4 ' CE1' ' CG2' ' A' ' 21' ' ' ILE . 2.5 p-80 -176.26 140.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 64.25 110.832 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.699 ' CE1' " H2'" ' A' ' 219' ' ' GNP . 1.9 t80 -66.42 146.67 54.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 61.530000000000001 110.899 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG21 ' CD1' ' A' ' 21' ' ' ILE . 36.0 m -142.34 -178.12 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.150000000000006 111.124 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -127.75 -45.08 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 51.340000000000003 110.807 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.68 58.72 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.241 -0.436 . . . . 72.519999999999996 110.874 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -113.39 140.45 48.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 75.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.12 118.19 7.02 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 74.019999999999996 110.75 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.537 ' HD2' HD12 ' A' ' 36' ' ' ILE . 49.0 Cg_endo -68.84 -39.46 8.4 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.371 2.047 . . . . 75.120000000000005 112.14 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.78 49.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 64.420000000000002 110.887 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.537 HD12 ' HD2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -146.49 169.95 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 72.120000000000005 111.318 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -98.24 55.8 1.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.051 -0.522 . . . . 71.230000000000004 110.727 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 60.51 26.09 15.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 65.310000000000002 110.899 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 t -124.76 148.49 48.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 72.510000000000005 110.944 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -150.01 144.49 25.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 75.129999999999995 110.669 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.527 ' HB2' HD12 ' A' ' 52' ' ' LEU . 13.9 ptt85 -123.85 133.27 53.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 72.439999999999998 111.008 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -129.6 147.38 51.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 73.5 110.849 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.464 HE21 HG23 ' A' ' 50' ' ' THR . 6.0 tt0 -93.7 120.41 33.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 71.340000000000003 110.881 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 53' ' ' LEU . 27.0 m -129.6 178.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 74.150000000000006 111.187 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.5 t -121.93 100.86 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 62.030000000000001 111.055 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.549 ' CD1' HG21 ' A' ' 160' ' ' VAL . 40.5 mt -123.47 137.75 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.519999999999996 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.07 29.96 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 44.399999999999999 110.848 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.33 28.19 66.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 33.299999999999997 112.487 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -143.66 114.09 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 63.439999999999998 110.861 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.464 HG23 HE21 ' A' ' 43' ' ' GLN . 79.9 m -56.89 129.61 42.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 63.530000000000001 110.843 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.3 m -151.6 146.79 26.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 61.43 111.03 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.527 HD12 ' HB2' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -82.26 142.33 32.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 75.219999999999999 110.506 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.443 HD11 HG21 ' A' ' 44' ' ' VAL . 20.2 mt -110.19 77.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.385 . . . . 42.32 111.172 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.09 102.04 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.200000000000003 110.657 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.875 HG21 HG23 ' A' ' 20' ' ' THR . 16.6 mm -91.35 108.47 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 64.040000000000006 111.259 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.571 ' C ' HD13 ' A' ' 56' ' ' LEU . 3.4 tm? -96.07 101.36 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 75.109999999999999 110.581 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.12 107.03 17.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 75.319999999999993 110.905 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 p -76.88 -173.81 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 62.219999999999999 110.795 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.89 122.47 29.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.319999999999993 111.099 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.92 -36.46 87.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.815 -0.707 . . . . 45.409999999999997 112.439 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -168.58 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.74 0.305 . . . . 75.219999999999999 110.759 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 63.74 117.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 54.119999999999997 110.862 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.07 112.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 65.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -146.41 109.73 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 74.239999999999995 110.811 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 p -118.69 -35.05 3.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 61.439999999999998 111.179 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.33 -63.07 1.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.382 -0.372 . . . . 53.420000000000002 111.261 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.403 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 2.8 ptp -74.88 -23.39 58.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 73.409999999999997 110.83 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -25.82 65.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 64.439999999999998 111.11 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -82.24 -35.44 28.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 62.509999999999998 111.102 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 74' ' ' THR . 0.0 OUTLIER -66.63 -27.26 67.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.417 -0.356 . . . . 72.439999999999998 111.001 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -69.95 -44.76 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 74.019999999999996 110.875 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.563 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.1 mtt -60.7 -54.9 39.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.087 -0.506 . . . . 72.329999999999998 110.671 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 57.4 mtm180 -56.03 -22.39 27.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 72.420000000000002 111.279 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 70' ' ' GLN . 75.6 p -101.7 -4.42 26.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.366 . . . . 63.130000000000003 111.462 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.544 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -99.1 127.3 9.21 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.591 -0.814 . . . . 75.019999999999996 112.749 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.443 ' HB2' HD13 ' A' ' 163' ' ' ILE . 1.9 mm-40 -68.63 -26.47 65.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 55.32 110.856 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.642 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -148.8 -165.16 11.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.856 -0.688 . . . . 64.209999999999994 112.444 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.559 ' CE2' HG23 ' A' ' 100' ' ' ILE . 91.1 m-85 -151.6 141.32 21.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 74.010000000000005 111.017 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.836 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -122.95 118.77 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.030000000000001 110.766 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.874 ' HB3' HD12 ' A' ' 93' ' ' ILE . 64.6 m -92.68 110.86 22.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 73.099999999999994 111.054 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.49 HG11 HD21 ' A' ' 19' ' ' LEU . 47.6 t -100.31 106.65 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 72.409999999999997 110.929 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.536 ' HD1' HD11 ' A' ' 113' ' ' LEU . 0.5 OUTLIER -121.95 141.18 51.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 75.319999999999993 110.883 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.19 123.75 31.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 74.310000000000002 110.981 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.834 HD12 ' HB3' ' A' ' 123' ' ' ARG . 1.9 pt -66.03 -16.74 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 72.209999999999994 111.491 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.86 -34.47 26.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.812 0.339 . . . . 63.299999999999997 110.874 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -105.83 108.22 19.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 73.409999999999997 110.897 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.731 HG23 HG22 ' A' ' 125' ' ' VAL . 0.8 OUTLIER -58.18 -26.98 63.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 110.94 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -55.92 22.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 110.615 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.523 ' HB3' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -49.13 -39.52 28.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.84 -0.618 . . . . 75.310000000000002 110.879 179.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 17.0 t80 -61.62 -29.29 69.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 70.030000000000001 110.552 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.79 -28.7 55.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 73.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.46 -31.49 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 61.229999999999997 110.869 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 80' ' ' CYS . 25.2 mm -60.44 -27.72 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 72.010000000000005 110.922 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -73.46 -55.34 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 41.130000000000003 110.772 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -65.91 -28.67 69.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 65.200000000000003 111.252 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.412 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.8 m-85 -58.65 -37.96 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 72.25 111.119 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.431 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -65.9 -35.61 81.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 71.340000000000003 110.775 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.89 -28.72 67.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 70.409999999999997 110.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.441 ' HB3' ' HE1' ' A' ' 72' ' ' MET . 0.0 OUTLIER -77.4 -41.52 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 74.409999999999997 110.919 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 78' ' ' PHE . 15.7 mt -66.11 -49.3 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 64.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -55.39 -32.38 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 54.229999999999997 111.072 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -58.86 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 74.200000000000003 110.816 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' A' ' 72' ' ' MET . 43.0 t -59.35 -57.94 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.416 . . . . 75.430000000000007 110.988 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -61.61 -27.02 68.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 71.319999999999993 110.884 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.7 t70 63.02 46.94 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 72.230000000000004 110.739 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.6 148.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 72.230000000000004 110.966 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -77.21 -32.92 56.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 63.130000000000003 110.82 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.01 94.8 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 64.340000000000003 110.861 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.518 HG13 ' HD2' ' A' ' 110' ' ' PRO . 61.1 t -131.93 136.21 27.92 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-N 116.106 -0.497 . . . . 74.109999999999999 110.708 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.518 ' HD2' HG13 ' A' ' 109' ' ' VAL . 62.2 Cg_endo -74.42 101.06 1.38 Allowed 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.794 2.329 . . . . 64.120000000000005 112.253 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.71 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -143.97 168.73 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.329999999999998 110.878 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.513 HG13 ' HG2' ' A' ' 140' ' ' PRO . 27.3 t -143.12 149.32 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 71.099999999999994 111.2 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.536 HD11 ' HD1' ' A' ' 82' ' ' PHE . 10.7 tp -107.48 117.47 34.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 52.530000000000001 110.666 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.688 HG22 ' HB1' ' A' ' 155' ' ' ALA . 4.6 t -97.21 161.09 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 72.109999999999999 111.295 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.462 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -122.18 75.87 0.35 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.837 -0.696 . . . . 73.209999999999994 112.338 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -56.03 158.39 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 70.239999999999995 111.121 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.3 mttt 57.34 69.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 74.219999999999999 110.979 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.6 t -103.18 -13.13 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 71.450000000000003 111.167 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -86.57 -29.27 22.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.764 0.316 . . . . 62.439999999999998 111.021 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 120' ' ' LEU . 22.9 mt -55.03 155.06 4.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 71.099999999999994 110.945 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -110.26 35.18 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 63.439999999999998 111.342 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.01 71.39 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 33.420000000000002 111.28 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.834 ' HB3' HD12 ' A' ' 84' ' ' ILE . 2.0 ptm180 -95.72 137.54 34.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 71.349999999999994 110.869 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.5 p -103.16 -27.69 12.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 74.519999999999996 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.731 HG22 HG23 ' A' ' 87' ' ' THR . 80.7 t -110.61 108.14 24.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 73.340000000000003 110.953 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.4 160.44 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.808 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 p -54.64 -31.56 57.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.010000000000005 111.152 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -60.56 -42.48 96.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 71.219999999999999 110.891 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.425 ' HB2' HG13 ' A' ' 125' ' ' VAL . 3.1 mt-30 -72.63 -39.91 66.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 72.420000000000002 111.103 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -70.96 -29.76 65.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 75.310000000000002 111.202 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.89 -29.82 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.406 . . . . 64.310000000000002 110.965 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -58.32 -40.62 82.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 74.25 110.981 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.13 -50.08 17.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.838 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.24 -44.1 92.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.120000000000005 111.132 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -56.56 -41.68 77.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 74.219999999999999 110.856 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -28.89 63.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 60.119999999999997 110.787 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.445 ' HB3' HG12 ' A' ' 139' ' ' ILE . 4.6 m-30 -79.85 -28.81 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 75.019999999999996 111.02 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.77 16.79 60.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 70.349999999999994 112.57 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.71 HG21 ' HG2' ' A' ' 111' ' ' MET . 4.7 pt -110.11 157.08 38.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 72.530000000000001 111.472 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.513 ' HG2' HG13 ' A' ' 112' ' ' VAL . 57.1 Cg_endo -71.32 154.78 61.12 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.584 2.189 . . . . 72.439999999999998 112.206 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -127.24 118.21 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.430000000000007 110.94 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.901 HD12 ' HA ' ' A' ' 155' ' ' ALA . 0.2 OUTLIER -124.56 160.15 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 61.420000000000002 110.873 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -123.93 138.22 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 72.230000000000004 110.697 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 151' ' ' GLY . 28.9 p -145.08 162.03 37.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 75.140000000000001 111.182 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.4 p -126.04 122.35 35.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 74.219999999999999 110.751 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.585 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -78.57 -21.62 48.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 71.439999999999998 111.516 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.409 ' HB2' ' C6 ' ' A' ' 219' ' ' GNP . 31.3 tptt -85.06 -38.43 19.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.741 0.305 . . . . 73.519999999999996 111.209 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -102.08 -19.35 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 70.439999999999998 111.508 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 63.82 65.58 0.71 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.926 0.393 . . . . 73.430000000000007 110.666 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -124.58 106.97 10.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 53.119999999999997 111.047 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.446 ' O ' HG22 ' A' ' 144' ' ' THR . . . 85.15 2.63 87.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 74.140000000000001 112.918 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.7 t -52.67 -47.4 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.772 0.32 . . . . 34.210000000000001 111.417 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.56 ' HG3' HD23 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -64.04 -31.4 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 72.25 110.775 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -54.64 -54.57 39.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.066 -0.516 . . . . 60.530000000000001 111.037 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.901 ' HA ' HD12 ' A' ' 142' ' ' ILE . . . -56.26 -50.57 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 51.0 111.18 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.412 ' HZ ' HD12 ' A' ' 19' ' ' LEU . 45.9 m-85 -61.4 -49.77 75.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.140000000000001 110.894 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -59.04 -36.12 74.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 74.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.515 HG21 HD11 ' A' ' 142' ' ' ILE . 86.6 m -59.61 -41.62 90.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 50.420000000000002 110.826 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.836 HD23 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -59.99 -39.87 87.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 73.219999999999999 110.594 179.681 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.549 HG21 ' CD1' ' A' ' 46' ' ' ILE . 19.8 t -59.34 -37.82 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 72.450000000000003 110.978 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -76.36 -38.57 55.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 74.400000000000006 110.878 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.41 -45.26 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 71.230000000000004 110.78 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.443 HD13 ' HB2' ' A' ' 76' ' ' GLU . 89.6 mt -60.53 -57.11 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.131 -0.486 . . . . 75.140000000000001 110.952 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -51.5 -32.7 28.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 62.229999999999997 111.159 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.0 -37.93 89.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 73.5 110.862 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.168 -0.92 . . . . 75.340000000000003 110.877 -179.931 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.699 " H2'" ' CE1' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.972 0.415 . . . . 75.209999999999994 111.225 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.86 145.01 26.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.804 -0.635 . . . . 61.240000000000002 110.786 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -94.42 130.71 40.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 75.409999999999997 110.692 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -125.3 120.22 30.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.310000000000002 111.122 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -83.16 119.05 24.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.219999999999999 110.621 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.53 ' HB2' HD13 ' A' ' 55' ' ' ILE . 4.0 mm? -110.1 95.32 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.389 -0.369 . . . . 55.229999999999997 110.988 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.1 t -81.28 102.31 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.329999999999998 110.959 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.3 t -82.85 140.92 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 63.310000000000002 111.153 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.432 HG12 HH22 ' A' ' 68' ' ' ARG . 35.9 m -149.82 153.16 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 72.010000000000005 111.026 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.477 ' HA3' HG21 ' A' ' 14' ' ' VAL . . . -174.01 -85.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.561 -0.828 . . . . 64.420000000000002 112.621 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -178.91 -173.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 43.140000000000001 111.073 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.76 45.07 2.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.774 -0.726 . . . . 75.150000000000006 112.551 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.443 ' HA2' " O5'" ' A' ' 219' ' ' GNP . . . 165.4 41.99 0.02 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.773 -0.727 . . . . 71.230000000000004 112.474 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.477 HG21 ' HA3' ' A' ' 10' ' ' GLY . 6.6 m -117.91 -13.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.02 0.378 . . . . 71.349999999999994 112.02 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.477 ' HA3' ' H8 ' ' A' ' 219' ' ' GNP . . . 84.18 25.82 42.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.516 -0.85 . . . . 74.340000000000003 112.283 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HE3' ' O ' ' A' ' 258' ' ' HOH . 16.4 pttt -58.61 -45.04 90.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.932 0.396 . . . . 70.340000000000003 110.828 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.9 p -72.16 -34.66 68.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.917 -0.583 . . . . 72.349999999999994 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.552 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -56.45 -61.37 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 73.239999999999995 111.206 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.13 -27.16 52.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 50.149999999999999 111.015 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.897 HG23 HG21 ' A' ' 55' ' ' ILE . 32.1 m -67.91 -48.41 66.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 73.239999999999995 110.889 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.401 HD11 ' CZ ' ' A' ' 40' ' ' TYR . 1.4 mp -70.5 -30.01 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 64.150000000000006 110.652 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -59.2 -37.75 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.540000000000006 110.854 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tp -76.68 -62.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 73.230000000000004 111.164 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.46 -48.36 80.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 72.150000000000006 110.964 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -112.61 -130.05 0.31 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.235 -0.439 . . . . 51.009999999999998 110.077 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 p30 175.92 40.19 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.093 0 O-C-N 122.063 -0.398 . . . . 71.430000000000007 110.882 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -120.49 -11.71 9.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.273 -0.421 . . . . 64.540000000000006 111.564 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.2 t80 64.05 86.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 64.019999999999996 110.738 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.38 139.47 20.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 71.25 111.12 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -88.84 -56.69 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 61.25 110.732 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.504 ' HA ' ' O ' ' A' ' 252' ' ' HOH . 0.0 OUTLIER -179.91 69.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.253 -0.43 . . . . 55.240000000000002 110.96 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.18 140.43 25.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 75.510000000000005 110.699 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.07 116.74 6.75 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 65.549999999999997 110.828 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.54 74.33 4.31 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.585 2.19 . . . . 75.439999999999998 112.332 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.6 m 59.04 32.38 22.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 54.130000000000003 111.019 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 pt -110.95 176.06 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.310000000000002 111.126 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -105.77 27.46 8.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.96 -0.564 . . . . 73.409999999999997 111.101 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.97 26.44 15.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 64.310000000000002 110.957 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 t -107.99 146.97 31.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 63.109999999999999 111.046 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CZ ' HD11 ' A' ' 21' ' ' ILE . 7.1 m-85 -149.95 128.33 12.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 73.540000000000006 110.681 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.521 ' HB2' HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -105.59 133.67 49.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 73.25 111.123 -179.788 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -127.95 144.33 51.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 75.209999999999994 110.897 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -96.15 118.59 33.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 70.140000000000001 110.973 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.447 HG21 HD11 ' A' ' 53' ' ' LEU . 32.7 m -131.18 171.88 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 73.219999999999999 111.212 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 45' ' ' VAL . 9.0 p -128.29 102.47 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 60.210000000000001 111.019 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.742 HD13 HG21 ' A' ' 160' ' ' VAL . 3.5 mt -117.64 137.82 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 73.430000000000007 110.808 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.86 30.46 14.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 73.329999999999998 110.721 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.74 33.9 88.5 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.74 -0.743 . . . . 64.109999999999999 112.437 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -146.33 102.26 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 70.319999999999993 111.045 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.3 m -57.57 128.41 36.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 74.310000000000002 111.01 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 58.5 m -149.6 147.37 28.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 51.100000000000001 110.912 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -78.32 149.78 33.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 74.299999999999997 110.851 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.473 HD21 HG22 ' A' ' 160' ' ' VAL . 31.7 mt -123.72 75.43 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 71.420000000000002 110.929 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.33 97.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.400000000000006 110.878 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.897 HG21 HG23 ' A' ' 20' ' ' THR . 21.6 mm -80.76 109.68 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 73.430000000000007 111.102 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -101.91 104.31 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 71.400000000000006 110.738 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -109.29 134.22 52.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.219999999999999 110.756 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.8 p -99.7 -173.74 2.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 74.120000000000005 110.865 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.01 146.1 27.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 23.219999999999999 111.187 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.68 -26.04 21.2 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.815 -0.707 . . . . 50.229999999999997 112.484 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -107.94 -177.27 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 62.130000000000003 110.835 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 63.66 166.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 75.109999999999999 110.846 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.42 128.44 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 60.229999999999997 110.942 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -155.94 105.01 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 71.120000000000005 110.841 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.39 -38.47 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 75.239999999999995 111.015 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.12 -55.98 22.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 74.420000000000002 111.282 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mtm -76.54 -23.89 53.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 72.349999999999994 111.085 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.432 HH22 HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -58.31 -40.06 81.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.402 -0.363 . . . . 71.239999999999995 110.907 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -74.48 -31.67 62.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 72.420000000000002 110.82 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.559 ' O ' HG23 ' A' ' 74' ' ' THR . 12.6 tt0 -66.05 -38.89 89.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.25 110.869 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -59.54 -39.6 84.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.124 -0.489 . . . . 74.329999999999998 111.056 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.53 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.5 mtt -71.97 -46.47 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 64.219999999999999 110.699 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.411 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 63.6 mtp180 -67.13 -14.33 62.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.932 -0.576 . . . . 65.230000000000004 111.431 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 70' ' ' GLN . 56.1 p -102.84 -23.0 13.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.762 0.315 . . . . 73.5 111.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.416 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -92.56 152.47 21.15 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.676 -0.773 . . . . 63.310000000000002 112.888 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -95.52 -15.55 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.613 0.244 . . . . 74.310000000000002 111.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.46 -175.55 19.54 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.649 -0.786 . . . . 71.450000000000003 112.382 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.529 ' CE1' HG23 ' A' ' 100' ' ' ILE . 73.1 m-85 -152.81 132.34 12.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 74.120000000000005 111.139 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.931 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -113.51 111.48 21.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 72.109999999999999 110.776 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.669 ' HB3' HD12 ' A' ' 93' ' ' ILE . 3.5 m -93.7 124.03 37.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.450000000000003 110.823 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.789 ' O ' HD11 ' A' ' 93' ' ' ILE . 3.2 m -115.8 146.13 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 73.310000000000002 111.11 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.405 ' HB3' HG13 ' A' ' 93' ' ' ILE . 0.2 OUTLIER -147.22 140.42 25.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.094 -0.503 . . . . 62.119999999999997 110.94 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 117' ' ' LYS . . . -89.42 126.64 35.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 62.329999999999998 111.022 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.7 HD12 ' HB2' ' A' ' 123' ' ' ARG . 5.1 pt -62.11 -29.98 47.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 61.32 111.161 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -79.02 -24.51 43.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 35.43 111.101 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -110.61 108.26 18.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.405 -0.361 . . . . 64.219999999999999 110.744 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 m -70.08 -24.21 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.420000000000002 111.083 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -54.22 -41.54 68.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.379 -0.373 . . . . 71.540000000000006 111.051 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 m -58.82 -46.12 88.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 74.540000000000006 110.847 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.548 ' CE1' HD12 ' A' ' 133' ' ' LEU . 36.0 t80 -54.64 -24.28 20.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 62.43 111.144 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -79.79 -45.76 18.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.326 -0.397 . . . . 73.319999999999993 111.143 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.414 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 18.9 m-20 -69.12 -33.61 73.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 70.209999999999994 111.129 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.789 HD11 ' O ' ' A' ' 81' ' ' VAL . 23.8 mm -59.68 -26.12 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 116.416 -0.356 . . . . 73.510000000000005 111.029 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -76.04 -55.26 5.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 74.140000000000001 110.793 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -67.1 -33.95 76.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 75.409999999999997 111.28 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 3.7 m-85 -60.19 -48.98 79.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 63.420000000000002 110.995 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.436 ' HD2' ' CE1' ' A' ' 137' ' ' TYR . 2.7 ttt180 -54.99 -31.6 61.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 72.140000000000001 110.937 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -66.87 -34.95 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 71.329999999999998 110.743 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -38.27 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 72.010000000000005 110.694 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.529 HG23 ' CE1' ' A' ' 78' ' ' PHE . 32.3 mt -64.54 -47.1 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 53.520000000000003 110.837 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -62.21 -27.49 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 54.219999999999999 111.071 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -72.46 -58.94 2.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 70.219999999999999 110.749 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.53 HG11 ' HB2' ' A' ' 72' ' ' MET . 48.1 t -62.55 -51.27 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 74.439999999999998 110.971 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -64.87 -26.24 68.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 75.219999999999999 110.813 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 t0 64.96 40.27 5.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 74.019999999999996 110.773 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t -157.02 146.23 20.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 45.299999999999997 110.78 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -86.03 -26.32 25.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 64.129999999999995 111.112 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -105.9 89.67 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.406 -0.361 . . . . 75.099999999999994 111.068 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.451 HG21 HG21 ' A' ' 100' ' ' ILE . 24.4 m -116.52 152.58 48.38 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 74.239999999999995 111.011 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.93 100.95 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.556 2.171 . . . . 73.430000000000007 112.222 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.711 ' HG3' HG21 ' A' ' 139' ' ' ILE . 12.7 ptp -147.99 166.17 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 73.219999999999999 111.052 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.801 HG23 HD22 ' A' ' 159' ' ' LEU . 59.3 t -143.7 145.22 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 71.109999999999999 111.082 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.2 tp -106.35 103.62 13.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 72.200000000000003 110.704 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.792 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 20.3 t -96.81 147.2 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.916 0.389 . . . . 51.240000000000002 111.241 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.56 96.36 0.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 71.109999999999999 112.437 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -73.29 165.56 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 73.140000000000001 110.84 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.403 ' HD2' ' HB1' ' A' ' 83' ' ' ALA . 19.9 mttt 61.17 60.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 72.25 110.852 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 23.9 t -97.86 -15.58 20.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 74.129999999999995 111.102 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.503 ' CG ' HG21 ' A' ' 148' ' ' THR . 21.1 t70 -93.31 20.59 6.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.59 -0.277 . . . . 74.25 111.212 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 120' ' ' LEU . 15.0 mt -93.62 174.54 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.722 0.296 . . . . 65.030000000000001 110.784 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.79 26.88 9.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 74.209999999999994 111.024 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.55 76.93 1.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 54.219999999999999 111.272 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.7 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -89.4 107.61 19.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 60.409999999999997 110.589 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 33.5 p -83.4 -48.83 9.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 110.837 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.5 t -83.74 102.86 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 71.549999999999997 111.009 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -58.26 159.66 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 65.450000000000003 110.903 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.8 t -56.12 -43.64 78.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 54.020000000000003 111.056 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -55.72 -37.33 68.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 110.958 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -69.94 -36.45 75.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.988 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.51 ' HB1' ' CZ ' ' A' ' 141' ' ' TYR . . . -73.29 -41.81 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 73.329999999999998 111.129 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -29.31 69.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 64.409999999999997 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.41 -44.87 72.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 71.329999999999998 111.042 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.548 HD12 ' CE1' ' A' ' 90' ' ' PHE . 20.8 mt -72.08 -47.65 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 52.200000000000003 111.025 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -59.82 -38.35 81.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 54.310000000000002 111.052 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -76.18 -34.52 59.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.129999999999995 110.844 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.6 t -74.76 -31.42 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 64.329999999999998 110.63 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.436 ' CE1' ' HD2' ' A' ' 97' ' ' ARG . 21.6 m-85 -89.4 -20.43 23.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 63.149999999999999 111.033 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.01 17.63 64.8 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.709 -0.758 . . . . 51.009999999999998 112.541 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.711 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.4 pt -112.38 156.55 42.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.328 . . . . 73.219999999999999 111.487 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.5 ' HG2' HG13 ' A' ' 112' ' ' VAL . 47.2 Cg_endo -69.84 161.99 43.83 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.64 2.227 . . . . 72.5 112.524 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.51 ' CZ ' ' HB1' ' A' ' 130' ' ' ALA . 18.1 t80 -131.4 102.57 6.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 72.209999999999994 110.583 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.807 HD11 HG21 ' A' ' 158' ' ' THR . 4.6 mp -105.34 143.47 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 75.519999999999996 111.2 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -108.7 132.2 54.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.439999999999998 110.844 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 19.9 p -149.82 171.48 16.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 71.439999999999998 111.182 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.18 128.35 25.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.001 -0.545 . . . . 63.109999999999999 110.594 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.552 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -73.0 -14.28 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.140000000000001 111.545 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -83.81 -66.12 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.298 . . . . 72.310000000000002 111.242 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.503 HG21 ' CG ' ' A' ' 119' ' ' ASP . 47.6 p -77.98 -18.71 55.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 61.219999999999999 111.273 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 64.25 60.28 0.97 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.951 0.405 . . . . 60.299999999999997 110.709 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -112.43 115.55 28.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 74.310000000000002 110.952 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 75.23 9.02 84.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.837 -0.697 . . . . 73.299999999999997 112.997 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.83 -54.27 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 120.814 0.34 . . . . 74.0 111.214 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.34 -31.34 70.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.859 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -55.9 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 74.319999999999993 110.961 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.792 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -55.74 -48.16 75.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 45.119999999999997 111.091 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -58.88 -52.99 63.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 63.340000000000003 110.944 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -55.05 -27.48 44.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 73.420000000000002 111.108 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.807 HG21 HD11 ' A' ' 142' ' ' ILE . 3.7 m -57.4 -40.25 77.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.359 -0.382 . . . . 64.049999999999997 110.888 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.931 HD23 HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -63.5 -43.92 95.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 73.400000000000006 110.623 179.777 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.742 HG21 HD13 ' A' ' 46' ' ' ILE . 43.7 t -52.53 -49.53 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.993 -0.549 . . . . 63.420000000000002 111.27 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -34.5 77.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 73.219999999999999 110.645 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -49.48 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 75.409999999999997 110.818 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.452 HD11 HD12 ' A' ' 159' ' ' LEU . 43.9 mt -59.95 -38.95 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.322 -0.399 . . . . 74.430000000000007 111.041 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -51.77 -28.14 14.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 70.209999999999994 110.848 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -118.58 78.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 75.040000000000006 110.9 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.246 -0.883 . . . . 72.349999999999994 110.756 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.857 " H3'" ' PA ' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . 0.504 ' O ' ' HA ' ' A' ' 31' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . 0.446 ' O ' ' HE3' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.567 ' HG3' HD12 ' A' ' 52' ' ' LEU . 1.8 pmm? . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.878 0.37 . . . . 72.340000000000003 111.413 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.412 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 1.0 OUTLIER -95.04 137.51 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 75.120000000000005 110.731 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.682 ' HG3' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -93.23 120.9 34.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.497 . . . . 71.420000000000002 111.001 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.412 ' CZ ' HG21 ' A' ' 2' ' ' THR . 44.4 m-85 -111.42 157.43 20.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 70.209999999999994 110.911 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.86 101.12 7.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 74.150000000000006 110.796 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.793 HD22 HD23 ' A' ' 159' ' ' LEU . 13.9 mt -91.28 112.57 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 74.200000000000003 110.94 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.827 HG13 HD23 ' A' ' 56' ' ' LEU . 61.6 t -94.06 102.13 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 45.039999999999999 111.332 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.88 140.09 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 74.120000000000005 110.843 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.33 -178.67 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 60.130000000000003 111.219 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.78 165.57 13.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.854 -0.688 . . . . 43.149999999999999 112.553 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.686 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -58.16 141.18 51.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.701 0.286 . . . . 75.310000000000002 111.085 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.43 -24.85 11.78 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.889 -0.672 . . . . 74.120000000000005 112.764 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.03 49.65 1.0 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 52.100000000000001 112.493 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 11' ' ' ALA . 32.7 m -116.34 -9.37 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.575 0.226 . . . . 43.43 111.606 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.77 5.36 78.04 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.706 -0.759 . . . . 65.439999999999998 112.767 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.537 ' H ' HG23 ' A' ' 14' ' ' VAL . 3.0 pttt -59.06 -36.26 74.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.879 0.371 . . . . 75.329999999999998 110.774 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -58.83 -38.91 79.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 62.530000000000001 110.637 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.563 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -69.22 -43.96 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 53.130000000000003 111.28 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.618 HD22 HG13 ' A' ' 152' ' ' VAL . 65.9 mt -58.1 -49.55 76.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 65.409999999999997 111.071 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.848 HG23 HG21 ' A' ' 55' ' ' ILE . 89.4 m -58.69 -58.88 6.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 75.439999999999998 110.991 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.509 HG21 ' CE1' ' A' ' 27' ' ' HIS . 47.1 mm -59.06 -28.86 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.349999999999994 111.015 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -73.3 -42.02 62.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.39 -0.368 . . . . 71.450000000000003 110.912 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.876 HD13 ' CD2' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -76.31 -8.8 57.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.409999999999997 111.348 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.7 mm -114.61 -68.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.834 0.35 . . . . 63.530000000000001 111.229 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -84.34 -25.96 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 52.520000000000003 111.249 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 67.28 68.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.064 0.459 . . . . 65.530000000000001 110.908 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.509 ' CE1' HG21 ' A' ' 21' ' ' ILE . 12.3 p80 -176.48 139.32 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.941 -0.572 . . . . 71.120000000000005 110.567 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.448 ' CE1' " O2'" ' A' ' 219' ' ' GNP . 6.6 t80 -62.34 134.71 56.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.245 -0.434 . . . . 72.319999999999993 110.706 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 32' ' ' TYR . 7.1 t -59.72 151.31 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.973 0.416 . . . . 75.530000000000001 111.057 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -165.09 -44.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.891 -0.595 . . . . 71.239999999999995 110.703 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.22 67.93 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 74.129999999999995 110.827 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.452 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -134.51 162.85 31.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 75.109999999999999 110.809 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -57.62 119.96 37.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 75.099999999999994 110.938 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.79 -49.96 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.368 2.045 . . . . 74.299999999999997 112.709 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.582 ' O ' HG23 ' A' ' 36' ' ' ILE . 58.6 m -121.52 112.84 18.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 74.150000000000006 111.035 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -160.45 178.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 65.340000000000003 111.16 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -121.82 8.79 9.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.756 -0.656 . . . . 74.109999999999999 111.425 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.95 63.69 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.938 0.399 . . . . 72.109999999999999 110.543 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.3 p -54.06 147.39 12.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.021 -0.536 . . . . 71.329999999999998 111.083 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -97.1 162.52 13.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 73.150000000000006 110.876 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -145.07 112.48 6.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 74.430000000000007 110.935 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -126.06 132.71 51.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 62.109999999999999 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -87.66 136.0 33.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 74.310000000000002 110.923 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.55 HG21 HD11 ' A' ' 53' ' ' LEU . 26.9 m -139.17 176.1 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 71.420000000000002 111.098 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.96 100.84 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 74.120000000000005 111.152 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.6 mm -90.41 103.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 62.32 111.069 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 60.43 34.9 20.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.430000000000007 110.935 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.39 -35.54 4.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 74.140000000000001 112.617 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -80.49 123.31 27.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 60.32 110.859 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.9 m -78.24 127.06 31.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 54.340000000000003 110.911 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 m -142.21 146.24 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 75.349999999999994 110.765 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.682 HD22 ' HG3' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -78.35 149.01 33.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 63.140000000000001 110.828 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.55 HD11 HG21 ' A' ' 44' ' ' VAL . 57.7 mt -125.47 91.81 3.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 54.310000000000002 110.927 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -85.96 97.95 10.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 73.340000000000003 110.847 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.848 HG21 HG23 ' A' ' 20' ' ' THR . 14.1 mm -83.45 110.2 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 72.230000000000004 111.108 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.827 HD23 HG13 ' A' ' 7' ' ' VAL . 18.3 tp -83.61 129.05 34.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 73.430000000000007 110.809 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -106.0 101.26 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 73.109999999999999 110.665 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.7 p -75.43 -176.86 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 71.209999999999994 110.986 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 63' ' ' GLU . . . -113.95 154.7 27.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 73.120000000000005 111.175 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.25 -9.57 9.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 61.240000000000002 112.836 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -139.05 29.34 2.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.778 0.323 . . . . 73.239999999999995 111.264 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.33 -81.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.402 -0.363 . . . . 75.129999999999995 111.102 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 59' ' ' ALA . 5.4 mt-10 -78.26 81.81 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.408 -0.36 . . . . 74.239999999999995 110.924 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -138.73 149.57 45.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 74.319999999999993 110.895 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 t 63.19 -78.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.505 . . . . 20.100000000000001 111.093 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.64 -59.35 4.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 72.519999999999996 111.2 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -76.82 -33.38 57.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 71.019999999999996 110.842 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -60.67 -29.46 69.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 63.119999999999997 110.925 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -27.96 61.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 73.510000000000005 111.177 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -69.76 -33.09 71.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.323 -0.399 . . . . 74.430000000000007 110.957 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -72.27 -36.08 68.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 73.510000000000005 111.051 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.691 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.9 mtt -58.35 -36.05 72.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.307 -0.406 . . . . 74.120000000000005 110.94 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -75.59 -16.02 60.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 71.129999999999995 111.351 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.5 p -107.0 -18.68 13.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.51 -0.313 . . . . 62.409999999999997 111.313 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.88 144.46 17.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 31.140000000000001 112.604 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.02 -17.29 29.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.658 0.266 . . . . 62.530000000000001 111.165 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.05 -178.84 27.15 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.755 -0.736 . . . . 71.310000000000002 112.395 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.512 ' CE1' HG23 ' A' ' 100' ' ' ILE . 36.1 m-85 -148.63 144.51 27.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.868 0.366 . . . . 72.120000000000005 111.231 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.576 HD12 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -121.81 121.42 37.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 75.530000000000001 110.742 179.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.871 ' HB3' HD12 ' A' ' 93' ' ' ILE . 82.9 m -95.96 112.14 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 60.240000000000002 110.965 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.2 t -99.62 111.0 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 74.040000000000006 111.027 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -116.08 159.56 21.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 71.239999999999995 110.631 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.18 124.27 50.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 61.210000000000001 110.99 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.792 HD12 ' CB ' ' A' ' 123' ' ' ARG . 1.4 pt -65.39 -28.08 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 73.409999999999997 110.916 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -82.64 -8.64 59.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.984 -0.553 . . . . 73.219999999999999 111.113 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -123.66 106.67 10.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.752 0.311 . . . . 75.409999999999997 110.711 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.2 m -64.1 -29.93 71.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 70.120000000000005 111.065 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.18 -47.65 84.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 72.219999999999999 111.068 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.4 p -55.18 -45.43 75.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 75.340000000000003 111.157 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 28.2 t80 -59.33 -37.36 77.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 72.129999999999995 110.933 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.43 -27.72 61.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 72.310000000000002 111.109 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.447 ' HA ' ' NE2' ' A' ' 95' ' ' GLN . 67.3 m-20 -76.35 -45.4 32.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 62.350000000000001 111.144 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.871 HD12 ' HB3' ' A' ' 80' ' ' CYS . 24.0 mm -47.72 -29.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 74.019999999999996 111.005 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -64.2 -54.04 39.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.547 . . . . 63.329999999999998 110.868 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.514 ' HG2' ' N ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -68.33 -29.85 68.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 73.349999999999994 110.958 -179.437 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.514 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 8.6 m-85 -59.54 -29.52 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.946 -0.57 . . . . 73.540000000000006 110.904 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.436 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -73.24 -38.45 66.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.384 . . . . 71.329999999999998 110.38 179.654 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.57 -27.48 49.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 75.340000000000003 110.864 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -76.5 -33.15 58.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 73.420000000000002 110.809 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.522 ' CG2' HG21 ' A' ' 109' ' ' VAL . 54.8 mt -73.02 -49.16 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 61.350000000000001 110.924 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -55.48 -38.62 69.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 73.129999999999995 111.075 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -59.11 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 75.439999999999998 111.024 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.691 HG11 ' HB2' ' A' ' 72' ' ' MET . 41.4 t -61.13 -52.91 56.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 71.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -62.7 -24.66 67.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 72.439999999999998 110.764 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.98 35.8 7.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.42 . . . . 73.540000000000006 110.706 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.1 t -158.83 140.75 13.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 63.140000000000001 110.718 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -74.52 -42.71 58.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 70.310000000000002 111.196 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -90.01 82.94 6.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 72.340000000000003 111.174 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.522 HG21 ' CG2' ' A' ' 100' ' ' ILE . 25.1 m -105.91 152.44 40.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.347 -0.388 . . . . 72.239999999999995 110.881 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.92 109.87 2.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.492 2.128 . . . . 74.310000000000002 112.321 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.789 ' HG3' HG21 ' A' ' 139' ' ' ILE . 14.3 ptp -157.04 171.11 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 62.340000000000003 111.035 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.553 HG13 ' HG2' ' A' ' 140' ' ' PRO . 47.0 t -143.05 150.51 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 62.310000000000002 111.112 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 80' ' ' CYS . 6.9 tp -114.09 112.1 22.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 75.230000000000004 110.725 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.822 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 20.9 t -105.15 142.29 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 75.230000000000004 111.385 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.45 82.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.881 -0.676 . . . . 70.209999999999994 112.364 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -63.71 176.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 74.409999999999997 111.031 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.46 ' CA ' HD23 ' A' ' 120' ' ' LEU . 0.0 OUTLIER 60.61 75.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.200000000000003 110.822 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 2.6 t -105.1 -25.37 12.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 75.109999999999999 111.182 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -99.37 15.66 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.411 -0.359 . . . . 54.340000000000003 111.481 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.46 HD23 ' CA ' ' A' ' 117' ' ' LYS . 3.4 mm? -65.05 -20.52 66.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.741 0.305 . . . . 72.25 111.114 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 59.64 19.42 8.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.37 . . . . 34.100000000000001 111.284 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -150.67 49.13 0.87 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.816 0.341 . . . . 74.420000000000002 111.084 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.792 ' CB ' HD12 ' A' ' 84' ' ' ILE . 6.7 ptp85 -66.41 158.91 28.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 61.420000000000002 111.055 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.0 p -128.34 -47.58 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 51.420000000000002 110.709 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.6 t -90.76 102.33 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 40.350000000000001 111.013 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.08 162.88 1.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.019999999999996 110.933 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.4 m -58.56 -43.39 89.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.545 . . . . 65.120000000000005 111.197 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -55.4 -50.46 69.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.416 . . . . 71.439999999999998 111.086 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -57.41 -41.81 81.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 73.010000000000005 111.014 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -70.83 -29.78 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 53.329999999999998 111.128 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -29.65 61.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.409999999999997 110.958 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.56 -44.33 80.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 72.420000000000002 110.925 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 16.0 tp -71.7 -49.23 41.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 64.439999999999998 110.878 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.62 82.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 72.439999999999998 111.153 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 71.439999999999998 110.869 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.7 t -70.76 -33.32 70.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 70.019999999999996 110.619 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.461 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 4.1 m-30 -74.63 -26.71 60.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 75.420000000000002 110.989 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.82 15.02 62.02 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.807 -0.711 . . . . 62.299999999999997 112.703 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.789 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.4 pt -113.54 156.62 43.16 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.765 0.317 . . . . 74.430000000000007 111.406 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.553 ' HG2' HG13 ' A' ' 112' ' ' VAL . 52.6 Cg_endo -70.05 163.29 39.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.535 2.157 . . . . 73.019999999999996 112.138 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -131.56 104.93 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 72.200000000000003 110.805 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.921 HD11 HG21 ' A' ' 158' ' ' THR . 1.9 mp -108.47 149.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 65.409999999999997 111.047 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -118.51 132.07 56.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 62.32 110.707 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 151' ' ' GLY . 10.0 p -141.23 -178.1 5.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 64.019999999999996 111.017 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.514 ' HG ' ' CB ' ' A' ' 148' ' ' THR . 24.4 p -147.52 123.83 10.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.008 -0.542 . . . . 72.010000000000005 110.657 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.563 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.87 -33.29 68.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.338 -0.392 . . . . 74.120000000000005 111.316 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -78.72 -49.71 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 52.240000000000002 111.147 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.514 ' CB ' ' HG ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -81.48 -23.43 37.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.391 . . . . 72.129999999999995 111.231 -179.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.72 ' HD2' HG21 ' A' ' 152' ' ' VAL . 27.0 mmm-85 61.46 65.77 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.92 0.391 . . . . 74.010000000000005 110.617 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -122.1 124.9 44.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 61.149999999999999 111.035 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 144' ' ' THR . . . 54.08 24.45 28.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.904 -0.665 . . . . 71.209999999999994 112.818 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.72 HG21 ' HD2' ' A' ' 149' ' ' ARG . 21.9 t -58.64 -55.39 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 62.240000000000002 111.056 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.439 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 9.7 mt-10 -64.29 -30.03 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 64.140000000000001 110.947 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -58.86 -33.25 70.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.255 -0.43 . . . . 73.329999999999998 110.923 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.822 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -71.7 -39.26 70.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 62.25 111.218 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.876 ' CD2' HD13 ' A' ' 23' ' ' LEU . 41.7 m-85 -72.83 -49.49 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.530000000000001 111.248 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.8 m-85 -53.65 -30.74 44.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 73.510000000000005 111.202 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.921 HG21 HD11 ' A' ' 142' ' ' ILE . 79.3 m -58.34 -40.94 83.52 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.917 0.389 . . . . 73.430000000000007 110.84 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.793 HD23 HD22 ' A' ' 6' ' ' LEU . 49.0 tp -61.4 -40.58 94.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 54.439999999999998 110.522 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.7 t -51.74 -47.78 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.953 -0.567 . . . . 75.430000000000007 111.134 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -67.98 -28.7 67.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 73.129999999999995 110.765 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -72.77 -52.23 15.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 72.409999999999997 110.824 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 29.2 mt -57.59 -48.32 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.291 -0.413 . . . . 71.230000000000004 111.127 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -57.05 -38.14 72.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 74.209999999999994 110.802 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 75.319999999999993 110.795 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.266 -0.874 . . . . 62.43 110.88 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.509 ' O2A' ' O2B' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.691 ' SD ' HG22 ' A' ' 50' ' ' THR . 2.6 tpp . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.918 0.39 . . . . 74.0 111.221 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.473 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -83.87 149.75 26.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 55.009999999999998 110.696 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -104.45 117.71 34.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 72.340000000000003 110.749 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.473 ' CZ ' HG21 ' A' ' 2' ' ' THR . 47.6 m-85 -109.1 108.81 19.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 53.020000000000003 111.135 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.08 91.95 9.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 110.722 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.874 HD12 ' CD1' ' A' ' 55' ' ' ILE . 10.7 mt -88.47 112.23 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 74.430000000000007 111.032 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.428 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 94.8 t -87.8 133.84 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 120.987 0.422 . . . . 51.350000000000001 111.007 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 t -116.65 117.06 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 115.811 -0.631 . . . . 74.409999999999997 111.134 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.594 HG12 HH12 ' A' ' 68' ' ' ARG . 32.8 m -94.11 167.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 72.109999999999999 110.987 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.411 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -120.23 -170.05 14.18 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 73.420000000000002 112.57 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.544 ' HB3' ' OG ' ' A' ' 89' ' ' SER . . . 178.36 37.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 72.140000000000001 111.345 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.73 135.3 0.01 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.837 -0.697 . . . . 73.010000000000005 112.867 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.23 22.95 63.67 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.854 -0.689 . . . . 44.310000000000002 112.911 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.692 HG23 ' NZ ' ' A' ' 16' ' ' LYS . 13.1 m -123.15 102.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 71.109999999999999 111.249 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.74 60.29 2.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.848 -0.691 . . . . 74.310000000000002 112.536 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.692 ' NZ ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -64.33 -19.05 65.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 72.129999999999995 110.941 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -80.01 -35.72 36.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.909 0.385 . . . . 55.240000000000002 110.817 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.584 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -56.49 -54.91 40.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.939 -0.573 . . . . 75.25 111.085 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 pp -59.63 -26.58 65.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 65.5 111.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 m -65.43 -52.39 53.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 73.140000000000001 111.199 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.505 HD11 ' CZ ' ' A' ' 40' ' ' TYR . 1.2 mp -60.86 -28.55 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.219999999999999 111.1 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -55.31 -40.81 71.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 62.43 110.873 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 tp -76.71 -39.62 51.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 74.219999999999999 110.921 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.468 HD13 ' HG2' ' A' ' 42' ' ' LYS . 24.2 mm -61.78 -55.04 26.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.349 -0.387 . . . . 53.299999999999997 111.196 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -125.84 -98.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 64.310000000000002 110.766 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.5 p30 168.35 68.95 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.874 0.368 . . . . 44.100000000000001 110.932 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' CE1' HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -173.69 144.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 73.409999999999997 110.717 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.433 ' CE1' " O2'" ' A' ' 219' ' ' GNP . 1.3 t80 -67.17 109.25 2.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 74.319999999999993 110.868 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.454 HG11 HD13 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -86.08 155.73 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 62.039999999999999 111.14 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -113.76 -57.95 2.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.519 . . . . 75.340000000000003 110.822 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -179.11 65.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 73.140000000000001 110.979 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.0 141.39 52.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.304 -0.407 . . . . 73.450000000000003 110.719 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -142.14 117.28 6.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 72.219999999999999 110.956 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.12 -35.31 2.45 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.509 2.139 . . . . 75.140000000000001 112.027 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.7 40.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.867 -0.606 . . . . 72.310000000000002 110.49 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.456 ' CD1' ' CE2' ' A' ' 40' ' ' TYR . 17.4 pt -139.38 -173.9 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.822 -0.626 . . . . 75.540000000000006 110.903 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -117.45 -49.66 2.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.123 0.487 . . . . 75.439999999999998 111.198 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -177.53 35.03 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.46 -0.791 . . . . 74.329999999999998 110.672 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 t -137.86 157.39 46.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 64.150000000000006 111.345 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 21' ' ' ILE . 7.4 m-85 -149.17 168.42 23.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.965 -0.562 . . . . 70.019999999999996 110.601 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 ptt85 -143.42 139.54 29.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 74.219999999999999 110.788 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.468 ' HG2' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -133.29 138.77 46.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 75.099999999999994 110.832 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -100.72 114.73 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 74.519999999999996 110.96 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.6 m -132.4 -174.65 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.862 -0.608 . . . . 72.140000000000001 110.708 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 45' ' ' VAL . 6.2 p -127.85 109.03 19.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 70.140000000000001 111.15 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.916 HG13 HG11 ' A' ' 160' ' ' VAL . 4.2 mm -97.62 115.37 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.887 -0.597 . . . . 64.230000000000004 111.002 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t70 65.22 42.18 4.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 75.409999999999997 111.052 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.66 21.7 69.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 55.100000000000001 112.769 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -127.8 97.14 4.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.832 0.349 . . . . 73.409999999999997 110.751 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.691 HG22 ' SD ' ' A' ' 1' ' ' MET . 68.5 m -52.11 132.64 33.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.540000000000006 111.006 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 62.3 m -154.42 157.1 37.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 74.239999999999995 110.826 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.82 140.14 29.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 75.310000000000002 110.839 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.2 mt -122.43 90.95 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 73.230000000000004 110.943 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.24 91.38 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 71.099999999999994 110.806 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.874 ' CD1' HD12 ' A' ' 6' ' ' LEU . 10.0 mm -78.88 114.59 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 75.530000000000001 110.975 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.626 HD21 ' CG2' ' A' ' 58' ' ' THR . 0.4 OUTLIER -98.52 123.35 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 74.299999999999997 110.765 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -118.07 92.62 3.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 73.5 110.832 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.626 ' CG2' HD21 ' A' ' 56' ' ' LEU . 16.4 p -75.44 -175.97 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 74.049999999999997 110.842 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.79 160.11 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 71.120000000000005 111.243 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.65 -76.2 1.08 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.777 -0.725 . . . . 53.399999999999999 112.528 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -124.5 112.86 17.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 60.219999999999999 110.983 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.18 165.96 21.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.25 110.849 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -91.03 59.47 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.126 0.489 . . . . 73.430000000000007 110.925 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -121.85 86.11 2.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.818 -0.628 . . . . 70.340000000000003 110.854 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.55 -28.18 18.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 63.210000000000001 110.939 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.0 -54.27 46.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 72.450000000000003 111.192 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.3 mtm -67.84 -31.01 70.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 62.219999999999999 110.854 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.594 HH12 HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -59.0 -39.57 82.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 75.319999999999993 110.805 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.96 -23.61 62.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 65.430000000000007 110.661 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -78.46 -48.01 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 75.329999999999998 110.813 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -72.95 -48.86 33.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 72.310000000000002 110.915 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.9 mtt -56.64 -33.1 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 75.030000000000001 110.841 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.43 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 72.3 mtp180 -81.12 -21.57 39.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 75.230000000000004 111.018 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.3 p -103.6 12.8 34.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 53.229999999999997 111.131 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.09 134.14 12.05 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.468 -0.872 . . . . 74.409999999999997 112.728 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -80.9 -17.06 51.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.654 0.264 . . . . 53.329999999999998 111.127 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -160.55 167.74 35.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 73.010000000000005 112.435 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.547 ' CE2' HG23 ' A' ' 100' ' ' ILE . 99.0 m-85 -132.14 138.04 47.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 73.340000000000003 111.079 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.067 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -116.25 123.31 47.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 70.310000000000002 110.679 179.728 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.833 ' HB3' HD12 ' A' ' 93' ' ' ILE . 88.1 m -96.22 105.73 17.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 71.349999999999994 110.97 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.5 t -102.04 111.39 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 72.329999999999998 111.072 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.586 ' CD1' HD11 ' A' ' 113' ' ' LEU . 8.5 p90 -124.14 144.59 49.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.030000000000001 110.791 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.13 123.69 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 71.219999999999999 110.979 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.679 HD12 ' HB2' ' A' ' 123' ' ' ARG . 4.3 pt -61.71 -26.02 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 111.303 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -76.46 -28.82 56.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 60.299999999999997 111.098 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -108.38 111.11 22.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 75.109999999999999 110.909 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.9 m -72.23 -24.29 61.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.182 -0.463 . . . . 61.399999999999999 111.062 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -59.25 -37.41 77.51 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.896 0.379 . . . . 75.519999999999996 110.589 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.544 ' OG ' ' HB3' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -70.76 -33.48 70.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 71.019999999999996 110.515 179.648 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.66 -31.6 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 74.040000000000006 110.638 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.12 -31.66 55.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 41.520000000000003 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 95' ' ' GLN . 0.5 OUTLIER -68.86 -31.8 71.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 64.319999999999993 110.89 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.833 HD12 ' HB3' ' A' ' 80' ' ' CYS . 26.8 mm -59.43 -30.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 72.319999999999993 110.695 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -72.49 -55.42 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.140000000000001 111.088 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 0.1 OUTLIER -67.31 -28.81 68.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 53.219999999999999 111.027 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.411 ' CE2' ' O ' ' A' ' 10' ' ' GLY . 5.3 m-85 -69.84 -48.23 59.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 70.299999999999997 110.627 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.46 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -54.53 -31.71 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 73.019999999999996 111.006 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.81 -38.72 92.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 55.140000000000001 111.069 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.32 -41.87 90.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 73.450000000000003 111.016 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.687 HG21 HG21 ' A' ' 109' ' ' VAL . 25.8 mt -58.85 -46.75 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 72.040000000000006 110.95 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -55.91 -31.4 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 72.120000000000005 111.071 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.31 -58.94 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 74.329999999999998 110.765 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.43 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 44.4 t -59.58 -58.64 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 54.140000000000001 110.937 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -59.27 -24.81 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 73.319999999999993 110.897 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 64.69 42.5 4.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 74.329999999999998 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.5 p -161.98 159.24 26.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 70.450000000000003 110.753 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -93.0 -24.11 18.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 72.209999999999994 111.159 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -108.89 85.66 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 63.140000000000001 111.064 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.687 HG21 HG21 ' A' ' 100' ' ' ILE . 14.5 m -108.5 151.2 41.48 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 71.150000000000006 110.943 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -68.52 101.12 0.72 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.521 2.147 . . . . 74.450000000000003 111.998 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.769 ' HG3' HG21 ' A' ' 139' ' ' ILE . 8.7 ptp -150.15 166.52 29.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 73.519999999999996 111.262 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.817 HG23 HD22 ' A' ' 159' ' ' LEU . 49.6 t -141.84 147.43 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.881 -0.599 . . . . 73.140000000000001 110.956 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.586 HD11 ' CD1' ' A' ' 82' ' ' PHE . 6.7 tp -106.44 101.51 10.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 71.340000000000003 110.927 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.737 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 20.4 t -99.4 143.5 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 70.420000000000002 111.113 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -118.46 95.44 0.63 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 65.310000000000002 112.477 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -69.06 174.82 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 72.439999999999998 110.833 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.516 ' HB3' HD12 ' A' ' 120' ' ' LEU . 3.8 mttt 60.22 61.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 75.409999999999997 110.876 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.6 t -97.18 -27.45 14.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 63.409999999999997 110.941 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -74.39 -26.06 59.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 50.130000000000003 111.171 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 117' ' ' LYS . 10.7 mt -52.01 145.19 10.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.37 -0.377 . . . . 71.150000000000006 111.053 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.86 29.32 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 64.239999999999995 111.196 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.43 74.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 64.230000000000004 111.026 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.679 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.4 OUTLIER -92.84 114.12 26.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.538 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.4 p -86.36 -50.67 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 55.020000000000003 110.798 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.69 96.74 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 71.420000000000002 110.876 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -55.17 156.11 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 62.310000000000002 110.968 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.7 t -54.58 -24.39 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 61.439999999999998 111.221 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -59.85 -52.41 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.395 . . . . 73.120000000000005 110.948 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -59.61 -40.36 87.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.420000000000002 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.09 66.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 51.409999999999997 111.183 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.86 -44.35 32.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 71.329999999999998 110.969 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -59.09 -33.73 71.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 71.129999999999995 110.935 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.5 HD11 ' OH ' ' A' ' 137' ' ' TYR . 20.2 tp -81.21 -51.45 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 71.230000000000004 110.796 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.414 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -58.56 -46.45 86.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.422 . . . . 44.219999999999999 111.167 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -59.09 -28.43 66.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 74.219999999999999 111.001 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.3 m -74.29 -40.74 62.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 42.329999999999998 110.766 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.5 ' OH ' HD11 ' A' ' 133' ' ' LEU . 18.9 m-85 -70.29 -21.58 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 71.209999999999994 111.073 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.66 17.34 64.03 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.667 -0.778 . . . . 62.439999999999998 112.477 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.769 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.1 pt -110.46 156.77 39.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.714 0.292 . . . . 50.520000000000003 111.322 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.454 ' HG2' HG13 ' A' ' 112' ' ' VAL . 54.7 Cg_endo -69.88 149.47 66.17 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.592 2.194 . . . . 73.400000000000006 112.484 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -120.58 117.68 28.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.644 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 1.002 HD11 HG21 ' A' ' 158' ' ' THR . 3.2 mp -124.2 147.81 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.430000000000007 111.089 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -116.82 135.84 53.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 70.329999999999998 110.813 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 151' ' ' GLY . 27.3 p -146.23 179.88 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 64.340000000000003 111.084 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.2 118.13 8.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.025 -0.534 . . . . 75.140000000000001 110.73 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.584 ' HB1' ' CB ' ' A' ' 18' ' ' ALA . . . -65.8 -27.2 68.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 74.299999999999997 111.353 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -75.87 -65.86 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.429 -0.35 . . . . 64.420000000000002 111.162 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 p -73.84 -20.61 60.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 111.409 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 63.7 66.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.938 0.399 . . . . 72.219999999999999 110.716 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.52 125.02 48.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 75.010000000000005 111.031 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.437 ' O ' HG22 ' A' ' 144' ' ' THR . . . 59.07 18.18 40.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.824 -0.703 . . . . 40.310000000000002 112.938 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.5 t -54.8 -55.31 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.912 0.386 . . . . 64.439999999999998 111.105 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -61.08 -35.62 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 72.450000000000003 110.711 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.06 -54.1 17.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 73.219999999999999 111.06 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.737 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -63.7 -33.15 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 75.219999999999999 110.968 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.03 -55.58 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 73.329999999999998 110.835 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -57.15 -29.52 63.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 74.420000000000002 111.006 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 1.002 HG21 HD11 ' A' ' 142' ' ' ILE . 69.9 m -58.95 -45.97 89.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 63.130000000000003 110.856 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 1.067 HD23 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -53.76 -43.33 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 64.150000000000006 111.057 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.916 HG11 HG13 ' A' ' 46' ' ' ILE . 11.4 t -56.39 -51.79 59.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 54.240000000000002 111.205 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -57.05 -31.72 65.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 62.43 111.124 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.63 -39.87 76.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 70.209999999999994 110.828 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 44.5 mt -69.07 -41.28 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 50.32 111.255 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -54.59 23.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.451 . . . . 51.030000000000001 111.145 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -67.12 -30.19 70.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 75.25 110.963 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.081 -0.961 . . . . 72.209999999999994 110.741 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.475 ' O3G' ' O1B' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.694 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.986 0.422 . . . . 73.310000000000002 111.353 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.5 147.64 26.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.793 -0.64 . . . . 54.450000000000003 110.784 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.53 124.58 48.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 64.450000000000003 110.744 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -115.58 121.28 42.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 74.439999999999998 111.024 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -90.06 93.75 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 63.109999999999999 110.728 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 159' ' ' LEU . 3.9 mm? -81.55 95.29 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 61.020000000000003 111.062 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.445 HG21 ' HA3' ' A' ' 75' ' ' GLY . 33.7 t -82.53 102.17 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 73.430000000000007 111.058 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.27 138.66 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 72.25 111.179 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -124.93 169.5 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.023 -0.535 . . . . 60.109999999999999 110.901 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.75 156.46 27.99 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.565 -0.826 . . . . 42.119999999999997 112.7 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 92' ' ' ASP . . . -95.77 20.37 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.725 0.298 . . . . 72.310000000000002 111.222 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.51 39.26 22.47 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.686 -0.769 . . . . 51.140000000000001 112.891 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.34 43.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.484 -0.865 . . . . 43.509999999999998 113.074 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.482 HG12 ' OG ' ' A' ' 89' ' ' SER . 34.8 m -111.73 -28.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 61.149999999999999 111.269 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.69 21.75 10.97 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.777 -0.725 . . . . 74.109999999999999 112.741 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -29.81 68.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 73.340000000000003 111.098 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 p -77.87 -34.03 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 64.349999999999994 111.106 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.666 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -68.29 -28.43 67.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 74.409999999999997 111.359 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.561 ' CD2' HG12 ' A' ' 152' ' ' VAL . 54.1 mt -75.09 -40.53 59.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 71.450000000000003 110.979 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.842 HG23 HG21 ' A' ' 55' ' ' ILE . 96.2 m -57.77 -57.58 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 73.140000000000001 110.874 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.417 HG21 ' CE1' ' A' ' 27' ' ' HIS . 6.1 mt -59.96 -39.4 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.828 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.83 -35.88 75.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.158 -0.474 . . . . 74.200000000000003 110.69 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.757 HD13 ' O ' ' A' ' 23' ' ' LEU . 3.4 tm? -71.19 -25.6 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 64.0 110.942 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.562 HG22 ' N ' ' A' ' 25' ' ' GLN . 2.3 mp -106.83 -79.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 70.209999999999994 111.02 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.562 ' N ' HG22 ' A' ' 24' ' ' ILE . 35.4 mt-30 -60.94 -34.81 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 64.329999999999998 111.344 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 67.91 36.03 3.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 74.409999999999997 110.851 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.417 ' CE1' HG21 ' A' ' 21' ' ' ILE . 1.8 p-80 -136.28 145.68 45.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.29 -0.414 . . . . 62.450000000000003 110.975 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -80.86 102.96 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.129999999999995 110.673 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.714 HG21 ' CD2' ' A' ' 32' ' ' TYR . 4.9 p -64.92 144.73 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.377 . . . . 74.120000000000005 111.164 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.58 -60.04 2.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 63.130000000000003 110.819 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -178.95 134.29 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 75.209999999999994 110.642 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.714 ' CD2' HG21 ' A' ' 29' ' ' VAL . 3.5 p90 -147.2 172.68 13.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 64.519999999999996 110.86 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.485 ' O ' HD12 ' A' ' 36' ' ' ILE . 73.8 m-20 -71.63 138.06 83.2 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 53.509999999999998 110.85 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.87 -45.53 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.461 2.108 . . . . 61.240000000000002 112.499 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.63 78.45 9.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 70.340000000000003 111.037 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.679 ' H ' HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -134.63 -15.49 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 64.219999999999999 112.023 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 60.12 40.42 18.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.892 0.377 . . . . 55.530000000000001 110.874 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -94.86 48.4 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 55.109999999999999 110.799 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.43 163.29 1.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 61.350000000000001 110.942 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.428 ' HB2' HD13 ' A' ' 24' ' ' ILE . 4.2 m-85 -129.08 126.2 38.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 73.450000000000003 110.874 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -117.16 114.67 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 73.409999999999997 110.928 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.454 ' HD2' HD13 ' A' ' 23' ' ' LEU . 28.2 tttt -110.26 146.75 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 73.340000000000003 110.949 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -100.77 121.94 42.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 73.329999999999998 110.737 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.519 HG21 ' HE1' ' A' ' 157' ' ' TYR . 28.3 m -137.1 -177.19 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 52.43 111.126 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.3 t -121.91 100.91 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 62.530000000000001 111.009 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.648 HG13 HG11 ' A' ' 160' ' ' VAL . 9.1 mm -84.63 100.72 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.430000000000007 110.992 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 63.31 57.55 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 74.349999999999994 110.873 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.86 27.28 61.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 75.329999999999998 112.582 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -134.16 104.7 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 65.540000000000006 110.901 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -58.99 122.32 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 55.009999999999998 110.961 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.2 m -148.5 145.46 27.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 53.140000000000001 110.883 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.694 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -78.59 150.93 32.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.837 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 53' ' ' LEU . 18.0 mt -127.31 73.64 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.752 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.0 99.43 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 75.340000000000003 110.925 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.842 HG21 HG23 ' A' ' 20' ' ' THR . 17.8 mm -79.51 108.31 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 73.310000000000002 110.975 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.563 ' C ' HD13 ' A' ' 56' ' ' LEU . 3.2 tm? -89.32 102.45 15.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 62.32 110.925 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -104.56 107.96 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 71.109999999999999 110.848 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.545 ' CG2' HD11 ' A' ' 56' ' ' LEU . 17.2 p -89.23 -175.98 4.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 71.049999999999997 110.979 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.42 150.23 35.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 72.319999999999993 111.033 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.33 -80.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.671 -0.776 . . . . 51.149999999999999 112.441 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.88 124.93 10.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 73.030000000000001 111.154 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -178.86 40.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 74.239999999999995 110.82 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 59.81 80.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 71.319999999999993 110.799 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -157.59 83.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 74.439999999999998 110.875 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.0 p -102.58 -29.68 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 75.140000000000001 110.99 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.06 -42.14 84.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 51.240000000000002 111.178 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.409 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 9.5 mmt -78.1 -36.86 47.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.209999999999994 110.887 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -34.32 70.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.099999999999994 110.97 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.14 -34.1 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 110.522 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 74' ' ' THR . 8.9 tp60 -64.64 -43.74 92.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 62.020000000000003 110.738 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.409 ' CD2' ' O ' ' A' ' 67' ' ' MET . 14.8 m-85 -72.38 -44.2 62.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 71.549999999999997 111.027 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.428 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.4 mmt -59.17 -50.0 75.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.031 0.443 . . . . 75.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.449 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 52.2 mtp180 -61.42 -35.05 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.857 -0.61 . . . . 73.540000000000006 111.163 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 70' ' ' GLN . 75.7 p -85.92 -16.2 39.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 62.210000000000001 111.402 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.445 ' HA3' HG21 ' A' ' 7' ' ' VAL . . . -80.96 137.04 17.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.622 -0.799 . . . . 63.420000000000002 112.779 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -89.72 -12.47 39.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.602 0.239 . . . . 63.240000000000002 110.93 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.83 178.35 35.06 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.878 -0.677 . . . . 72.200000000000003 112.237 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.769 ' O ' HD21 ' A' ' 159' ' ' LEU . 15.9 m-85 -148.67 148.34 29.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.309 . . . . 73.099999999999994 111.068 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.63 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -119.38 113.72 21.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.219999999999999 110.869 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.497 ' HB3' HG23 ' A' ' 93' ' ' ILE . 86.6 m -90.01 106.76 18.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.312 -0.404 . . . . 72.409999999999997 111.041 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.628 ' HA ' HG23 ' A' ' 114' ' ' VAL . 48.0 t -102.02 120.48 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 64.239999999999995 111.059 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.436 ' CB ' HG13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -122.52 144.1 49.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 75.340000000000003 110.922 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.39 124.56 38.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.406 . . . . 72.239999999999995 111.176 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.672 HD12 ' CB ' ' A' ' 123' ' ' ARG . 5.6 pt -64.87 -28.82 45.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 72.230000000000004 110.91 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.92 9.72 21.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.863 -0.608 . . . . 71.140000000000001 111.357 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -138.26 94.18 2.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.831 0.348 . . . . 74.349999999999994 110.898 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -59.27 -24.58 63.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 72.200000000000003 111.089 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -44.83 72.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.346 -0.388 . . . . 73.040000000000006 110.746 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.482 ' OG ' HG12 ' A' ' 14' ' ' VAL . 5.1 t -56.97 -43.8 81.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.984 0.421 . . . . 61.409999999999997 110.693 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.445 ' CE1' HD22 ' A' ' 133' ' ' LEU . 10.2 t80 -59.56 -25.3 64.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 74.340000000000003 110.841 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -77.71 -35.23 52.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 64.109999999999999 110.991 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.453 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 22.2 m-20 -75.23 -34.06 61.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 73.430000000000007 111.072 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.716 HG21 HD21 ' A' ' 113' ' ' LEU . 20.9 mm -59.77 -29.39 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.281 -0.418 . . . . 70.329999999999998 110.945 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -73.95 -55.45 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 74.310000000000002 110.872 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.66 -28.52 68.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.150000000000006 111.212 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.2 m-85 -58.12 -35.19 71.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 73.299999999999997 111.011 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -61.03 -39.35 89.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 70.109999999999999 110.822 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -57.38 -30.04 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 70.129999999999995 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -37.1 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 61.310000000000002 110.802 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.703 HG21 HG11 ' A' ' 109' ' ' VAL . 55.4 mt -70.06 -50.6 46.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 62.130000000000003 111.138 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -50.73 -40.23 53.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 71.319999999999993 110.955 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -62.74 -59.08 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.310000000000002 111.14 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 61.2 t -57.64 -63.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 62.439999999999998 110.982 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -59.58 -24.07 63.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 63.420000000000002 110.727 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.1 t0 60.55 43.25 13.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 74.140000000000001 110.693 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 m -148.33 145.87 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 64.129999999999995 111.01 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -83.76 -28.34 28.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 74.219999999999999 111.039 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -103.54 78.42 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 73.239999999999995 111.115 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.703 HG11 HG21 ' A' ' 100' ' ' ILE . 41.4 t -90.75 136.04 28.32 Favored Pre-proline 0 N--CA 1.446 -0.649 0 CA-C-O 121.066 0.46 . . . . 73.219999999999999 111.024 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.481 ' HD2' HG13 ' A' ' 109' ' ' VAL . 60.4 Cg_endo -74.66 101.04 1.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 123.071 2.514 . . . . 70.420000000000002 112.232 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.27 175.91 10.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 73.209999999999994 111.021 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.828 HG23 HD22 ' A' ' 159' ' ' LEU . 24.0 t -141.62 152.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 75.319999999999993 111.376 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.77 HD13 ' N ' ' A' ' 114' ' ' VAL . 0.8 OUTLIER -109.06 132.89 53.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 74.439999999999998 110.713 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.876 HG11 ' HB1' ' A' ' 155' ' ' ALA . 5.0 m -133.26 157.57 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.41 . . . . 73.409999999999997 111.342 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.14 78.28 0.28 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 73.319999999999993 112.491 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.45 165.65 0.23 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.791 0.329 . . . . 72.519999999999996 111.053 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.694 ' NZ ' H5'1 ' A' ' 219' ' ' GNP . 14.5 mtmm 60.35 59.63 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 55.509999999999998 110.872 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.6 t -99.05 7.27 46.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 64.420000000000002 111.388 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.439 ' OD1' ' O6 ' ' A' ' 219' ' ' GNP . 8.6 p-10 -108.84 -23.42 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.735 0.302 . . . . 73.510000000000005 111.022 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.7 mt -52.1 171.17 0.05 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 73.140000000000001 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.49 25.59 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.392 -0.367 . . . . 71.340000000000003 111.42 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -146.86 59.32 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.36 . . . . 64.310000000000002 111.154 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.672 ' CB ' HD12 ' A' ' 84' ' ' ILE . 4.3 ptt180 -80.99 154.89 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 74.549999999999997 110.944 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.7 p -118.05 -50.38 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 33.520000000000003 110.662 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.7 t -87.76 103.87 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 73.329999999999998 110.894 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.03 157.45 1.76 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 62.229999999999997 111.127 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -49.36 76.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 71.030000000000001 111.287 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -34.94 60.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 75.439999999999998 111.115 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -65.3 -34.58 78.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 62.399999999999999 110.668 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 141' ' ' TYR . . . -78.15 -33.41 50.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.043 -0.526 . . . . 74.25 111.163 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -31.99 72.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 71.129999999999995 110.942 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -61.01 -36.85 80.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 75.439999999999998 110.865 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.445 HD22 ' CE1' ' A' ' 90' ' ' PHE . 21.5 tp -73.17 -51.48 17.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 63.140000000000001 110.882 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.22 99.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 74.310000000000002 111.096 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -60.83 -30.62 70.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 110.863 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.1 t -74.13 -32.4 63.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.661 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.406 ' HB2' HG12 ' A' ' 139' ' ' ILE . 20.5 m-85 -81.17 -15.67 55.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 74.420000000000002 111.264 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.37 15.46 64.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.614 -0.803 . . . . 73.439999999999998 112.586 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 137' ' ' TYR . 19.2 pt -110.73 155.12 42.79 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.669 0.271 . . . . 60.310000000000002 111.312 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.602 ' HG2' HG13 ' A' ' 112' ' ' VAL . 55.2 Cg_endo -70.11 161.19 46.89 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.576 2.184 . . . . 71.329999999999998 112.388 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.574 ' CD1' HD12 ' A' ' 113' ' ' LEU . 89.1 t80 -124.04 115.99 22.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.219999999999999 110.898 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.827 HD11 HG21 ' A' ' 158' ' ' THR . 2.3 mp -114.66 160.33 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 73.230000000000004 111.089 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.468 ' N ' HG22 ' A' ' 142' ' ' ILE . 10.5 mt-10 -124.08 119.77 30.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.422 . . . . 64.140000000000001 110.917 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 151' ' ' GLY . 70.4 p -134.93 170.81 15.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 75.519999999999996 111.127 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.6 p -139.81 115.2 9.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 50.0 110.772 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.666 ' HB1' ' CB ' ' A' ' 18' ' ' ALA . . . -66.51 -23.11 66.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 64.239999999999995 111.323 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -83.42 -65.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.452 -0.34 . . . . 62.340000000000003 111.136 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 p -71.24 -21.73 62.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 62.240000000000002 111.354 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.25 68.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.861 0.363 . . . . 72.540000000000006 110.646 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.08 119.4 33.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 60.439999999999998 110.981 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.547 ' O ' HG22 ' A' ' 144' ' ' THR . . . 58.26 19.21 38.61 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.826 -0.702 . . . . 55.240000000000002 112.91 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 19' ' ' LEU . 22.5 m -55.67 -36.0 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.747 0.308 . . . . 61.030000000000001 111.205 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.497 ' HG3' HD23 ' A' ' 23' ' ' LEU . 4.3 mp0 -74.45 -34.26 63.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 73.299999999999997 110.89 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -40.23 76.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 71.099999999999994 110.792 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.876 ' HB1' HG11 ' A' ' 114' ' ' VAL . . . -69.52 -41.63 75.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 61.310000000000002 111.155 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -66.08 -48.32 71.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 75.239999999999995 111.145 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.519 ' HE1' HG21 ' A' ' 44' ' ' VAL . 18.8 m-85 -57.58 -37.03 72.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.367 -0.379 . . . . 75.430000000000007 111.107 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.827 HG21 HD11 ' A' ' 142' ' ' ILE . 25.6 m -55.75 -34.72 65.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.295 -0.411 . . . . 70.409999999999997 111.087 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.828 HD22 HG23 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -62.85 -38.53 91.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 65.0 110.801 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.648 HG11 HG13 ' A' ' 46' ' ' ILE . 5.0 t -63.23 -39.92 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 63.119999999999997 111.065 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -68.82 -33.31 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.349999999999994 110.951 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.43 -50.79 34.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.030000000000001 111.009 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.709 HD11 HD12 ' A' ' 159' ' ' LEU . 71.9 mt -59.64 -42.39 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.367 -0.379 . . . . 74.319999999999993 111.204 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -60.92 -33.91 73.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 75.409999999999997 110.964 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -72.04 -38.03 69.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 71.329999999999998 110.869 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 75.239999999999995 110.863 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.723 " H3'" ' PA ' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . 0.491 ' O ' ' O1G' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.62 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.794 0.331 . . . . 74.409999999999997 111.265 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.94 149.91 21.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 64.409999999999997 110.744 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -103.83 114.89 29.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 63.329999999999998 110.81 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -105.67 140.16 39.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 54.119999999999997 111.085 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 5.2 mmtt -115.64 92.36 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.409999999999997 110.785 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.689 HD12 ' CD1' ' A' ' 55' ' ' ILE . 10.4 mt -83.97 124.72 31.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 63.439999999999998 111.223 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.25 107.61 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 73.150000000000006 110.97 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.2 t -80.93 143.08 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 71.129999999999995 111.244 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.499 HG23 ' HA ' ' A' ' 80' ' ' CYS . 29.7 m -146.42 136.9 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.010000000000005 111.049 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.23 144.37 8.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 54.409999999999997 112.526 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.58 ' HB2' ' OD2' ' A' ' 92' ' ' ASP . . . -66.27 98.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.325 . . . . 61.520000000000003 111.051 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.66 -117.95 12.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 44.340000000000003 112.474 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O1B' ' A' ' 219' ' ' GNP . . . -64.47 -84.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 34.43 112.396 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.481 HG11 ' OG ' ' A' ' 89' ' ' SER . 12.9 m 40.97 31.49 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.778 0.323 . . . . 45.539999999999999 111.765 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.41 34.32 33.9 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.808 -0.71 . . . . 44.340000000000003 112.765 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -75.56 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 75.140000000000001 110.988 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -30.14 71.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 54.450000000000003 110.943 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.593 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -69.24 -43.14 74.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 72.209999999999994 111.269 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mt -54.22 -50.54 66.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 74.310000000000002 111.203 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.643 HG23 ' CG2' ' A' ' 55' ' ' ILE . 95.7 m -58.94 -54.0 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 111.027 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.455 HG23 ' HB2' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -59.16 -41.1 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 71.239999999999995 111.087 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' CG ' HG11 ' A' ' 152' ' ' VAL . 4.3 tp-100 -56.67 -35.64 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 64.420000000000002 110.95 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.688 HD23 HG13 ' A' ' 55' ' ' ILE . 35.1 tp -76.71 -24.87 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 54.119999999999997 111.443 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.557 HD13 ' HD2' ' A' ' 42' ' ' LYS . 22.4 mm -109.65 -76.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.622 -0.263 . . . . 74.430000000000007 111.528 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.455 ' HB2' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -63.94 -20.4 65.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 65.209999999999994 111.026 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.8 p30 45.39 29.68 0.61 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.318 -0.401 . . . . 44.039999999999999 111.623 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -118.91 18.38 13.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 75.5 111.075 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.572 ' O ' HG23 ' A' ' 29' ' ' VAL . 10.5 t80 63.39 -80.32 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.494 . . . . 73.340000000000003 111.042 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER 169.24 130.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.801 0.334 . . . . 73.430000000000007 110.566 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.8 t70 179.74 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 71.099999999999994 110.514 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.92 58.89 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 70.540000000000006 110.689 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.03 169.9 15.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 75.310000000000002 110.947 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -80.89 151.34 70.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 52.43 111.078 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.431 ' O ' HG23 ' A' ' 36' ' ' ILE . 35.0 Cg_endo -64.92 -165.82 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.651 2.234 . . . . 73.239999999999995 112.104 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.55 110.04 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.367 -0.378 . . . . 75.430000000000007 110.917 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -142.5 -174.59 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 73.109999999999999 111.183 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -101.69 49.39 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 53.350000000000001 110.801 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.5 ' HB2' HD11 ' A' ' 36' ' ' ILE . 96.2 m-20 -111.61 52.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 73.140000000000001 110.83 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.6 p -54.96 153.37 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 73.450000000000003 110.982 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -111.58 174.47 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 73.219999999999999 111.004 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -140.25 138.0 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 75.209999999999994 110.765 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.557 ' HD2' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -133.83 144.47 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 74.109999999999999 111.008 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -108.79 118.95 38.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 75.420000000000002 110.821 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.15 -179.43 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.129999999999995 111.178 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.08 102.51 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 72.239999999999995 111.07 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.673 ' CD1' HG21 ' A' ' 160' ' ' VAL . 21.5 mt -118.27 137.42 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.310000000000002 111.079 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.79 33.03 21.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 73.239999999999995 110.961 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.7 28.16 65.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.677 -0.773 . . . . 62.530000000000001 112.471 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -142.14 112.6 7.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 34.420000000000002 110.897 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.4 m -58.67 128.42 37.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 74.209999999999994 110.874 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.7 m -148.74 150.1 32.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 64.030000000000001 111.036 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.62 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -87.41 142.27 28.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 72.329999999999998 110.777 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.6 mt -114.21 101.83 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 74.030000000000001 110.988 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -91.07 92.98 8.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 73.340000000000003 110.703 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.689 ' CD1' HD12 ' A' ' 6' ' ' LEU . 9.3 mm -83.13 108.96 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 51.409999999999997 111.157 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.517 HD21 ' CG2' ' A' ' 58' ' ' THR . 0.2 OUTLIER -97.75 129.28 44.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 53.149999999999999 110.389 179.735 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.52 ' HB2' HG21 ' A' ' 20' ' ' THR . 4.1 t70 -115.16 102.64 10.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 62.420000000000002 111.01 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.517 ' CG2' HD21 ' A' ' 56' ' ' LEU . 10.8 p -87.25 -175.21 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 64.209999999999994 110.748 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.73 159.15 32.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 62.100000000000001 111.005 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.08 56.44 5.07 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.74 -0.743 . . . . 73.099999999999994 112.529 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 46.26 34.79 2.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.778 0.323 . . . . 55.420000000000002 111.268 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.63 -55.74 8.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 64.099999999999994 110.951 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -172.0 43.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 72.200000000000003 110.953 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -150.06 87.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 71.129999999999995 110.831 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.4 t -104.35 -26.04 12.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 71.329999999999998 111.098 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.09 -52.39 35.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.38 -0.373 . . . . 62.100000000000001 111.157 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.7 mtm -75.01 -25.26 58.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 61.450000000000003 110.739 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.5 ttp85 -58.0 -37.76 74.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 64.439999999999998 110.687 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.31 -25.73 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 71.239999999999995 110.743 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -71.69 -31.42 66.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 74.230000000000004 111.007 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -74.04 -31.09 62.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.394 . . . . 72.129999999999995 111.04 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.56 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.2 mtt -62.49 -51.75 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 63.509999999999998 110.915 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.408 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 70.7 mtp180 -62.93 -20.0 64.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.532 . . . . 74.340000000000003 111.117 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.4 p -104.24 1.65 30.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 71.510000000000005 111.432 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.429 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -106.34 140.55 15.23 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.666 -0.778 . . . . 72.329999999999998 112.732 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 2.5 mt-10 -84.08 -20.97 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 65.349999999999994 110.818 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.67 177.2 32.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.823 -0.703 . . . . 62.310000000000002 112.26 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -141.65 136.85 31.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.355 . . . . 60.219999999999999 110.969 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.588 HD21 HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -113.64 104.74 12.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 63.509999999999998 110.908 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.503 ' O ' HD12 ' A' ' 113' ' ' LEU . 15.3 m -89.66 115.33 26.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 71.200000000000003 110.718 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.56 ' O ' HD11 ' A' ' 93' ' ' ILE . 3.1 m -100.61 146.12 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 111.127 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.15 139.5 33.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.506 . . . . 75.430000000000007 110.701 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.45 124.43 38.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 75.409999999999997 111.233 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.876 HD12 ' HB3' ' A' ' 123' ' ' ARG . 1.9 pt -61.77 -18.45 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.120000000000005 111.399 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.55 17.58 22.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.479 -0.328 . . . . 72.329999999999998 111.141 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.59 87.26 2.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.866 0.365 . . . . 75.519999999999996 110.7 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.435 HG23 HG22 ' A' ' 125' ' ' VAL . 1.3 m -55.18 -24.67 28.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 64.209999999999994 111.236 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -72.92 -32.49 65.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.394 -0.366 . . . . 70.439999999999998 110.735 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.481 ' OG ' HG11 ' A' ' 14' ' ' VAL . 10.9 t -70.42 -38.44 74.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 55.119999999999997 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.431 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 8.4 t80 -56.5 -36.83 69.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.211 -0.449 . . . . 74.319999999999993 110.764 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.8 -27.16 60.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 62.229999999999997 111.006 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.58 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -69.27 -32.11 71.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 75.209999999999994 110.952 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.56 HD11 ' O ' ' A' ' 81' ' ' VAL . 31.0 mm -60.16 -30.23 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 72.010000000000005 111.137 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -72.82 -55.51 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.319999999999993 110.843 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -65.77 -28.69 69.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 74.530000000000001 111.163 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.1 m-85 -58.03 -36.37 72.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.355 -0.384 . . . . 74.420000000000002 111.003 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.435 ' HD2' ' HE3' ' A' ' 111' ' ' MET . 0.0 OUTLIER -68.93 -32.59 72.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 74.019999999999996 110.736 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.9 -30.05 69.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 73.530000000000001 110.884 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -73.3 -41.63 63.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.426 . . . . 74.120000000000005 110.904 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.48 HG21 HG21 ' A' ' 109' ' ' VAL . 15.1 mt -69.09 -46.37 78.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 74.420000000000002 110.963 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -57.88 -29.03 64.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.230000000000004 111.016 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -58.69 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 54.43 110.797 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 72' ' ' MET . 26.2 t -60.74 -58.1 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 75.109999999999999 111.057 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -63.46 -23.41 67.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 53.5 111.181 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 61.36 44.71 9.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.005 0.431 . . . . 51.32 110.828 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t -152.44 136.88 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 74.340000000000003 110.815 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -32.2 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 75.349999999999994 110.884 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.69 94.86 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.029 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 100' ' ' ILE . 29.1 m -113.19 153.35 45.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 54.149999999999999 110.987 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 57.5 Cg_endo -70.94 107.99 2.21 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.636 2.224 . . . . 71.5 112.375 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.822 ' HG3' HG21 ' A' ' 139' ' ' ILE . 12.4 ptp -152.53 173.93 14.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.140000000000001 110.931 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.674 HG13 ' HG2' ' A' ' 140' ' ' PRO . 17.7 t -145.47 153.59 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 74.019999999999996 111.17 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.815 HD23 ' HB2' ' A' ' 134' ' ' ALA . 5.9 tp -114.61 106.31 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 60.32 110.923 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.733 HG22 ' HB1' ' A' ' 155' ' ' ALA . 21.3 t -98.83 150.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.329999999999998 111.257 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.36 97.86 0.79 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 34.030000000000001 112.355 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.508 HD21 ' HB2' ' A' ' 146' ' ' ALA . 4.1 t-20 -75.51 161.58 29.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 73.329999999999998 110.999 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.529 ' HB3' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER 59.25 69.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.949 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.4 t -116.68 24.52 11.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 73.219999999999999 111.015 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.559 ' CG ' HG21 ' A' ' 148' ' ' THR . 29.7 t70 -111.12 -55.78 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 74.430000000000007 110.835 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.706 HD13 ' H ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -54.42 158.16 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 71.420000000000002 110.939 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -108.9 43.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 62.399999999999999 111.163 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.69 56.36 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 63.539999999999999 111.114 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.876 ' HB3' HD12 ' A' ' 84' ' ' ILE . 1.4 ptt-85 -96.32 160.23 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.422 . . . . 72.319999999999993 111.056 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.8 p -114.85 -37.08 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 53.130000000000003 110.768 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.648 HG13 ' CD ' ' A' ' 129' ' ' GLN . 88.3 t -101.48 141.88 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 53.420000000000002 110.781 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -94.62 158.18 15.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 73.510000000000005 110.777 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -17.81 64.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 72.209999999999994 111.22 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -61.71 -60.64 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.526 -0.306 . . . . 71.450000000000003 110.979 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.648 ' CD ' HG13 ' A' ' 125' ' ' VAL . 14.3 pt20 -62.93 -42.92 99.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 61.149999999999999 110.962 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.431 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -58.52 -32.6 68.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.025 -0.534 . . . . 65.329999999999998 111.175 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -34.93 68.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.915 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.59 -43.87 93.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 62.039999999999999 110.867 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.547 HD22 ' O ' ' A' ' 133' ' ' LEU . 1.1 tm? -66.05 -51.53 57.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 72.239999999999995 111.044 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.815 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -64.25 -43.76 93.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 70.400000000000006 111.125 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -57.89 -41.47 82.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 65.040000000000006 110.845 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.2 t -68.14 -29.59 68.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 73.329999999999998 110.768 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.415 ' CD2' ' HD3' ' A' ' 97' ' ' ARG . 4.0 m-30 -73.47 -24.01 60.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 75.519999999999996 111.103 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.98 14.77 62.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.675 -0.774 . . . . 72.530000000000001 112.647 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.822 HG21 ' HG3' ' A' ' 111' ' ' MET . 15.2 pt -113.51 155.26 45.05 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.692 0.282 . . . . 74.109999999999999 111.357 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.674 ' HG2' HG13 ' A' ' 112' ' ' VAL . 58.8 Cg_endo -72.05 150.13 53.82 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.544 2.162 . . . . 71.25 112.361 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -122.67 107.54 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 74.230000000000004 110.723 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.953 HD11 HG21 ' A' ' 158' ' ' THR . 3.0 mp -109.33 156.86 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 73.209999999999994 111.046 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.458 ' N ' HG22 ' A' ' 142' ' ' ILE . 37.5 mt-10 -119.85 130.42 54.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 110.813 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 151' ' ' GLY . 29.4 p -138.35 173.78 11.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 73.219999999999999 111.025 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.4 p -140.51 116.2 10.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 71.400000000000006 110.748 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.593 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.03 -23.69 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 61.350000000000001 111.29 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -82.72 -56.56 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.406 -0.361 . . . . 61.310000000000002 111.154 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.559 HG21 ' CG ' ' A' ' 119' ' ' ASP . 0.7 OUTLIER -81.15 -21.06 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 74.219999999999999 111.419 -179.71 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 66.13 69.5 0.44 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.875 0.369 . . . . 75.439999999999998 110.83 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.27 119.79 33.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 63.450000000000003 110.911 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.524 ' O ' HG22 ' A' ' 144' ' ' THR . . . 54.67 27.88 44.19 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.865 -0.683 . . . . 65.200000000000003 112.572 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.421 HG11 ' CG ' ' A' ' 22' ' ' GLN . 25.6 t -57.37 -55.46 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 70.400000000000006 111.166 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.437 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 14.0 mt-10 -67.27 -26.66 66.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 73.530000000000001 110.966 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -42.7 80.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 70.019999999999996 110.954 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.733 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -67.56 -40.79 84.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 63.240000000000002 111.015 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -66.02 -50.09 65.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 63.140000000000001 110.849 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.2 m-85 -55.45 -32.53 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 72.030000000000001 110.984 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.953 HG21 HD11 ' A' ' 142' ' ' ILE . 18.1 m -58.62 -37.89 76.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 70.25 110.919 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.431 ' CD2' HD22 ' A' ' 6' ' ' LEU . 28.5 tp -60.7 -41.59 95.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 64.310000000000002 110.881 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.673 HG21 ' CD1' ' A' ' 46' ' ' ILE . 25.5 t -56.88 -41.7 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 42.119999999999997 110.986 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -69.2 -33.93 74.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 64.340000000000003 110.698 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.19 -49.98 57.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 74.230000000000004 110.721 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.66 -49.34 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.141 -0.481 . . . . 54.509999999999998 111.165 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -47.87 -47.87 31.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.956 -0.565 . . . . 75.239999999999995 111.2 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -75.83 -30.43 58.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.375 . . . . 53.409999999999997 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.216 -0.897 . . . . 73.25 110.879 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.724 ' O1A' " H4'" ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.609 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.867 0.365 . . . . 63.439999999999998 111.3 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.92 149.77 30.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 110.739 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.55 123.17 47.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 72.010000000000005 110.864 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -111.33 160.82 16.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 61.240000000000002 111.064 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -127.79 94.95 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 73.209999999999994 110.924 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.544 HD12 HD13 ' A' ' 159' ' ' LEU . 3.8 mm? -81.25 109.87 16.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 64.540000000000006 110.92 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.402 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 14.0 t -93.74 102.19 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.310000000000002 111.262 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.401 HG12 ' HE3' ' A' ' 16' ' ' LYS . 29.3 t -96.8 121.29 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 65.439999999999998 111.067 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.7 m -98.17 174.29 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 71.310000000000002 111.129 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -106.7 -177.41 23.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.635 -0.793 . . . . 60.130000000000003 112.491 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.719 ' HB3' HG11 ' A' ' 14' ' ' VAL . . . -162.62 30.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 74.340000000000003 111.063 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.22 -86.61 0.59 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 72.120000000000005 112.59 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.46 78.0 0.3 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.681 -0.771 . . . . 52.439999999999998 112.629 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.781 ' O ' H5'1 ' A' ' 219' ' ' GNP . 32.6 m -142.96 -178.16 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 71.099999999999994 111.314 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -120.55 47.46 1.02 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 64.019999999999996 112.578 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HE3' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -67.42 -35.7 79.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.732 0.301 . . . . 70.109999999999999 110.754 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -71.1 -43.01 68.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 64.120000000000005 110.824 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.544 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -62.51 -43.82 97.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 70.519999999999996 111.235 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.831 HD23 HG13 ' A' ' 152' ' ' VAL . 8.5 mt -56.6 -33.57 66.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 73.209999999999994 111.041 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.785 HG23 HG21 ' A' ' 55' ' ' ILE . 75.6 m -74.4 -57.33 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 73.200000000000003 111.123 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.664 HG21 ' CE1' ' A' ' 27' ' ' HIS . 34.8 mm -53.26 -33.05 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.424 . . . . 65.019999999999996 111.349 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.41 -47.98 83.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 71.420000000000002 110.723 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.0 tp -76.78 -11.47 59.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 50.149999999999999 111.321 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.409 HG22 ' HG3' ' A' ' 25' ' ' GLN . 25.2 mm -99.74 -73.82 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 111.646 0.239 . . . . 72.439999999999998 111.646 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.409 ' HG3' HG22 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -103.07 9.15 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.891 0.33 . . . . 73.209999999999994 111.891 -179.583 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.9 p30 41.79 78.17 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.788 0.328 . . . . 61.210000000000001 111.561 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.664 ' CE1' HG21 ' A' ' 21' ' ' ILE . 5.3 p80 -176.6 144.88 0.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 63.140000000000001 110.828 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.577 ' HE2' HO2' ' A' ' 219' ' ' GNP . 6.0 t80 -70.87 118.26 13.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 72.129999999999995 110.514 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.623 HG22 ' CD1' ' A' ' 32' ' ' TYR . 2.3 p -52.66 150.95 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 74.340000000000003 111.345 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -168.83 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.349999999999994 110.812 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -102.39 78.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 72.109999999999999 110.894 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CD1' HG22 ' A' ' 29' ' ' VAL . 50.7 p90 -134.97 177.4 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.340000000000003 110.916 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.58 149.09 37.94 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 73.540000000000006 110.88 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.37 114.31 3.6 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.601 2.201 . . . . 74.040000000000006 112.316 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.2 t 60.86 105.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 54.240000000000002 110.894 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -145.24 178.72 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 73.129999999999995 111.167 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -129.17 23.45 5.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.591 . . . . 73.549999999999997 111.197 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -81.64 58.54 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.008 0.433 . . . . 72.439999999999998 110.471 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 p -54.13 -178.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.03 -0.532 . . . . 51.210000000000001 111.241 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -145.87 167.33 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 73.319999999999993 110.958 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -144.63 163.4 34.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 110.701 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -155.39 146.86 22.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.31 -0.404 . . . . 71.129999999999995 110.979 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -104.17 116.33 32.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.074 -0.512 . . . . 55.409999999999997 110.443 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.421 HG21 HD11 ' A' ' 53' ' ' LEU . 35.7 m -131.46 178.98 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 111.328 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.62 100.91 8.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 74.340000000000003 111.017 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.908 HG13 HG11 ' A' ' 160' ' ' VAL . 11.4 mm -78.16 98.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 71.340000000000003 111.017 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 t0 59.76 44.95 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 74.430000000000007 110.961 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.43 19.59 71.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.827 -0.701 . . . . 62.32 112.648 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -123.19 97.74 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 73.329999999999998 110.842 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.6 m -58.58 120.16 8.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 73.400000000000006 110.881 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.8 m -150.95 146.35 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 74.239999999999995 110.839 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.609 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -78.55 153.47 31.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 65.450000000000003 110.857 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD11 HG21 ' A' ' 44' ' ' VAL . 76.0 mt -133.75 86.85 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.5 110.644 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.16 96.94 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 74.049999999999997 111.052 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.785 HG21 HG23 ' A' ' 20' ' ' THR . 19.3 mm -80.59 108.23 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 45.439999999999998 110.907 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.537 HD21 ' CG2' ' A' ' 58' ' ' THR . 0.2 OUTLIER -93.16 119.63 32.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.140000000000001 110.716 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -107.36 100.05 9.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 71.519999999999996 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.537 ' CG2' HD21 ' A' ' 56' ' ' LEU . 11.7 p -81.26 -174.44 4.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 65.129999999999995 110.86 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.2 151.18 41.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 65.150000000000006 111.067 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.3 -53.0 49.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.785 -0.721 . . . . 43.109999999999999 112.507 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -103.73 30.23 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.321 . . . . 71.450000000000003 110.921 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 65.65 -74.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 72.420000000000002 111.083 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 47.49 28.73 1.21 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.813 0.34 . . . . 71.310000000000002 111.297 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -174.5 86.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.310000000000002 110.945 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -29.38 61.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 75.530000000000001 110.855 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.88 -48.45 81.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 75.25 111.161 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 11.7 mmt -70.4 -31.18 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 72.239999999999995 110.872 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -37.81 77.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 73.530000000000001 110.841 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -72.5 -24.65 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 62.329999999999998 110.767 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -78.16 -43.31 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 61.530000000000001 110.858 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -78.42 -48.45 15.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 74.340000000000003 111.058 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.789 ' HB2' HG11 ' A' ' 103' ' ' VAL . 8.4 mtt -55.07 -52.79 62.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.357 -0.383 . . . . 61.350000000000001 110.918 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.628 ' HG3' HG13 ' A' ' 103' ' ' VAL . 65.6 mtp180 -57.99 -22.61 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.349999999999994 111.253 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.7 p -102.23 -6.7 22.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.354 -0.384 . . . . 61.509999999999998 111.512 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.402 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -88.21 142.73 17.63 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.542 -0.837 . . . . 43.43 112.779 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -99.72 -6.8 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.592 0.234 . . . . 71.549999999999997 111.237 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.71 142.53 7.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.793 -0.717 . . . . 73.030000000000001 112.435 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -115.52 149.16 38.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 65.450000000000003 110.982 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.846 HD12 HD12 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -122.47 117.16 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 64.239999999999995 110.886 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.831 ' HB3' HD12 ' A' ' 93' ' ' ILE . 74.1 m -86.98 117.74 25.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 75.430000000000007 110.787 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -107.24 114.44 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.439999999999998 111.2 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.442 ' CE1' ' HA2' ' A' ' 115' ' ' GLY . 0.3 OUTLIER -132.32 141.28 48.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.533 179.546 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.507 ' HB1' ' CD ' ' A' ' 117' ' ' LYS . . . -92.71 125.54 37.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 64.25 111.182 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.899 HD12 ' HB3' ' A' ' 123' ' ' ARG . 8.1 pt -56.53 -31.7 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.120000000000005 110.943 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.7 -25.61 59.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 73.010000000000005 110.955 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -109.75 106.84 16.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.265 -0.425 . . . . 74.310000000000002 110.931 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.444 HG23 ' CG2' ' A' ' 125' ' ' VAL . 7.0 m -69.13 -27.52 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.230000000000004 110.936 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -55.0 -35.32 64.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 73.310000000000002 111.0 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -64.29 -51.31 64.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 62.539999999999999 110.771 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.422 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 31.3 t80 -55.69 -29.76 59.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 74.129999999999995 110.868 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -75.25 -36.81 61.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.439999999999998 110.934 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.21 -32.62 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.230000000000004 110.967 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.831 HD12 ' HB3' ' A' ' 80' ' ' CYS . 14.7 mm -61.23 -27.37 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.367 -0.378 . . . . 75.129999999999995 110.794 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -74.36 -55.5 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.319999999999993 110.728 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -66.79 -29.98 70.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 75.109999999999999 111.072 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 10' ' ' GLY . 1.8 m-85 -58.6 -42.69 88.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 73.150000000000006 110.891 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.834 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -59.71 -30.44 68.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 54.200000000000003 111.012 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -61.79 -27.18 68.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 73.299999999999997 111.23 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.14 -39.57 23.07 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.752 0.31 . . . . 65.219999999999999 110.833 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' A' ' 97' ' ' ARG . 15.2 mt -57.51 -41.17 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.357 -0.383 . . . . 53.43 111.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HE2' ' NE ' ' A' ' 97' ' ' ARG . 2.1 mptt -56.64 -41.69 77.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.446 -0.343 . . . . 63.030000000000001 110.868 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -60.27 -58.77 7.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 61.439999999999998 110.91 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 72' ' ' MET . 58.2 t -56.36 -64.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 72.239999999999995 111.171 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -58.99 -24.41 62.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 64.409999999999997 110.941 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 61.19 44.99 9.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 75.030000000000001 110.851 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 t -165.43 143.99 6.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 72.430000000000007 110.997 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.91 -52.26 8.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 60.350000000000001 110.898 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -80.44 84.74 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 65.439999999999998 110.933 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.4 m -116.26 154.05 48.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 43.340000000000003 111.127 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.43 107.28 2.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.557 2.171 . . . . 72.530000000000001 112.23 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.616 ' SD ' HD13 ' A' ' 100' ' ' ILE . 2.5 mtm -138.64 172.99 12.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 61.409999999999997 110.892 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.711 HG13 ' HG2' ' A' ' 140' ' ' PRO . 12.9 t -150.91 155.57 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 53.329999999999998 111.079 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.4 ' N ' HG12 ' A' ' 112' ' ' VAL . 3.2 tp -131.91 103.19 6.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 72.349999999999994 110.893 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 1.058 HG21 ' HB1' ' A' ' 155' ' ' ALA . 33.7 t -103.26 134.0 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 41.420000000000002 111.064 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.442 ' HA2' ' CE1' ' A' ' 82' ' ' PHE . . . -93.72 78.57 1.03 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 40.119999999999997 112.475 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.657 HD21 ' HB2' ' A' ' 146' ' ' ALA . 8.8 t30 -59.49 -179.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 74.140000000000001 110.849 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.507 ' CD ' ' HB1' ' A' ' 83' ' ' ALA . 5.7 mttt 61.15 57.78 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 72.340000000000003 110.906 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.44 -1.45 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 65.25 111.406 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.521 ' CG ' HG23 ' A' ' 148' ' ' THR . 34.7 t0 -77.78 -60.76 2.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.739 0.304 . . . . 74.340000000000003 110.679 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.71 HD13 ' H ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -51.41 160.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.049999999999997 111.2 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -109.52 45.18 1.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 64.319999999999993 111.053 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.41 76.65 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 61.149999999999999 111.113 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.899 ' HB3' HD12 ' A' ' 84' ' ' ILE . 2.5 ptp180 -91.13 137.17 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 61.530000000000001 110.849 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.0 p -105.0 -30.09 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 74.310000000000002 110.689 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.444 ' CG2' HG23 ' A' ' 87' ' ' THR . 91.7 t -115.07 100.98 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.008 -0.542 . . . . 74.140000000000001 110.926 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.61 155.32 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 74.219999999999999 110.919 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.3 p -55.13 -27.48 45.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 53.43 111.098 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -58.95 -48.3 82.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.56 -43.9 95.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 74.420000000000002 110.93 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.34 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 62.030000000000001 111.183 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.06 -31.28 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 53.32 110.888 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.94 -38.27 81.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 64.219999999999999 110.958 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.1 tp -79.82 -51.43 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 72.530000000000001 110.941 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.83 86.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 70.219999999999999 111.165 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -57.72 -40.74 80.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 72.420000000000002 110.819 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.1 t -76.55 -31.16 57.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 63.329999999999998 110.606 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.437 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 3.2 m-30 -71.15 -22.33 62.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 74.120000000000005 111.108 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.08 18.51 62.83 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.749 -0.739 . . . . 73.409999999999997 112.329 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 111' ' ' MET . 5.0 pt -113.52 157.35 41.62 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.693 0.283 . . . . 52.020000000000003 111.443 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.711 ' HG2' HG13 ' A' ' 112' ' ' VAL . 58.9 Cg_endo -72.67 156.58 53.33 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.527 2.151 . . . . 63.240000000000002 112.375 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -123.07 116.6 23.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 64.209999999999994 110.829 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 1.052 HD11 HG21 ' A' ' 158' ' ' THR . 2.7 mp -119.64 154.32 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 61.25 110.999 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.4 ' N ' HG22 ' A' ' 142' ' ' ILE . 2.2 mt-10 -122.57 128.97 51.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 71.400000000000006 110.861 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 21.9 p -147.86 177.41 9.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 53.409999999999997 111.07 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.73 118.39 11.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 74.109999999999999 110.761 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.657 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -63.42 -18.97 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 33.43 111.496 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.422 ' HB2' ' C6 ' ' A' ' 219' ' ' GNP . 0.9 OUTLIER -86.06 -58.87 2.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.718 0.294 . . . . 75.219999999999999 111.197 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.521 HG23 ' CG ' ' A' ' 119' ' ' ASP . 24.7 p -90.98 12.62 19.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 74.209999999999994 111.621 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 148' ' ' THR . 1.5 ptp85 28.75 64.9 0.11 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.67 0.388 . . . . 73.409999999999997 112.0 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -108.1 101.0 10.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 72.519999999999996 110.984 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.27 16.29 72.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.713 -0.756 . . . . 75.120000000000005 112.868 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.831 HG13 HD23 ' A' ' 19' ' ' LEU . 91.4 t -58.48 -56.01 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 120.845 0.355 . . . . 75.109999999999999 111.097 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 22.8 mt-10 -54.33 -27.44 35.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 73.219999999999999 110.886 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.02 -49.86 63.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 110.912 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 1.058 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -55.58 -41.32 73.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.216 -0.447 . . . . 71.129999999999995 111.165 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -68.15 -50.87 51.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 73.299999999999997 110.872 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 153' ' ' GLU . 17.0 m-85 -56.84 -31.14 64.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 71.319999999999993 110.848 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 1.052 HG21 HD11 ' A' ' 142' ' ' ILE . 16.4 m -58.27 -39.63 79.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 63.530000000000001 110.949 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.846 HD12 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -62.67 -43.04 99.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 75.25 110.765 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.908 HG11 HG13 ' A' ' 46' ' ' ILE . 11.8 t -58.0 -34.81 49.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.272 -0.422 . . . . 71.239999999999995 110.982 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -72.07 -37.58 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 75.200000000000003 110.733 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.32 -44.17 65.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 71.239999999999995 110.847 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.602 HD11 HD22 ' A' ' 159' ' ' LEU . 53.2 mt -59.94 -47.39 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 116.094 -0.503 . . . . 64.049999999999997 111.124 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -54.21 -34.65 61.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 72.0 111.116 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -55.28 -33.81 63.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.364 -0.38 . . . . 65.340000000000003 111.057 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.168 -0.92 . . . . 70.510000000000005 110.919 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.781 H5'1 ' O ' ' A' ' 14' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.763 0.316 . . . . 65.25 111.18 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.537 HG22 ' HB3' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -88.03 149.67 23.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 55.109999999999999 110.892 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -107.0 109.25 21.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 72.239999999999995 110.857 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.418 ' CE2' HG21 ' A' ' 2' ' ' THR . 26.4 m-85 -99.15 134.95 41.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 73.120000000000005 110.942 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -109.05 99.61 8.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 75.25 110.781 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.933 HD12 ' CD1' ' A' ' 55' ' ' ILE . 17.1 mt -97.78 127.16 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 74.329999999999998 111.26 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.453 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 87.2 t -109.91 102.12 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.035 -0.53 . . . . 73.040000000000006 110.721 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.83 149.63 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 72.25 111.318 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -144.99 177.24 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 50.520000000000003 110.985 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.52 -172.72 22.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.578 -0.82 . . . . 62.520000000000003 112.536 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.507 ' HB2' ' OD2' ' A' ' 92' ' ' ASP . . . -74.36 157.51 35.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 75.420000000000002 111.075 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.49 -24.42 17.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.848 -0.691 . . . . 44.310000000000002 112.739 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.48 ' HA2' ' O1A' ' A' ' 219' ' ' GNP . . . -125.17 83.66 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 53.240000000000002 112.682 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 16' ' ' LYS . 35.0 m -139.27 15.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.677 0.275 . . . . 61.5 111.593 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.727 ' HA2' " H2'" ' A' ' 219' ' ' GNP . . . 48.95 30.7 9.58 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.912 -0.661 . . . . 71.540000000000006 112.889 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HB3' HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -70.42 -44.21 68.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 74.319999999999993 110.822 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.485 ' O ' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -68.32 -22.44 64.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 70.340000000000003 111.022 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.59 ' HB2' " O2'" ' A' ' 219' ' ' GNP . . . -76.21 -21.67 56.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 65.329999999999998 111.501 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.61 ' CD2' HG12 ' A' ' 152' ' ' VAL . 0.7 OUTLIER -78.75 -29.45 45.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.493 -0.321 . . . . 71.099999999999994 111.258 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 17' ' ' SER . 0.9 OUTLIER -72.59 -29.07 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.491 -0.322 . . . . 63.100000000000001 110.82 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.67 HD13 HG12 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -70.03 -41.04 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.399 -0.364 . . . . 72.140000000000001 110.381 179.624 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -58.0 -48.62 79.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 63.200000000000003 110.598 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.54 -56.75 15.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 64.239999999999995 110.406 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.408 HD13 ' HG2' ' A' ' 42' ' ' LYS . 15.5 mm -53.56 -62.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 74.310000000000002 110.87 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.424 ' NE2' ' CE1' ' A' ' 27' ' ' HIS . 9.4 pt20 -116.15 -112.34 0.34 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.956 -0.565 . . . . 72.430000000000007 110.589 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 3.1 m-20 166.68 44.13 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.936 0.398 . . . . 71.219999999999999 110.575 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.424 ' CE1' ' NE2' ' A' ' 25' ' ' GLN . 7.3 p-80 -119.53 -18.88 8.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 75.5 111.753 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.462 ' CE1' ' HB1' ' A' ' 18' ' ' ALA . 92.9 t80 62.45 100.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 65.219999999999999 110.426 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.67 HG12 HD13 ' A' ' 21' ' ' ILE . 4.6 p -79.92 143.42 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 63.030000000000001 111.372 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -77.1 -60.3 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 75.420000000000002 110.783 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.52 68.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.120000000000005 110.809 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -144.27 137.55 27.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 74.109999999999999 110.984 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.11 117.13 6.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.340000000000003 110.818 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.61 74.06 4.44 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.493 2.129 . . . . 45.210000000000001 112.279 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.5 m 58.73 29.23 18.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 60.520000000000003 110.896 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 pt -104.96 168.28 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.037 0.446 . . . . 73.409999999999997 111.161 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -99.59 24.37 8.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.836 -0.62 . . . . 73.010000000000005 111.124 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 56.52 24.55 8.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 75.200000000000003 111.376 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 t -103.18 143.78 32.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.452 -0.34 . . . . 40.439999999999998 110.689 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -143.29 164.63 29.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 73.209999999999994 111.114 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -127.19 137.31 52.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 64.310000000000002 110.71 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.408 ' HG2' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -126.41 142.02 51.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 61.399999999999999 111.0 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -107.82 118.21 36.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 74.140000000000001 110.646 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG21 ' HE1' ' A' ' 157' ' ' TYR . 34.4 m -141.82 -178.44 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 73.510000000000005 111.278 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.0 t -122.93 100.75 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 75.420000000000002 111.033 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.63 HG13 HG11 ' A' ' 160' ' ' VAL . 5.6 mm -83.75 102.78 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 61.109999999999999 110.879 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t0 63.16 51.83 2.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 62.32 110.997 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.11 24.6 70.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 52.32 112.634 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -131.98 103.73 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 71.439999999999998 110.858 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.2 m -59.25 120.54 9.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 71.209999999999994 110.793 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.537 ' HB3' HG22 ' A' ' 2' ' ' THR . 66.8 m -142.36 146.87 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.120000000000005 110.942 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.496 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -84.81 143.37 29.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 73.219999999999999 110.923 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.1 mt -119.68 97.24 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 63.240000000000002 110.943 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.53 95.2 9.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 63.020000000000003 110.797 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.933 ' CD1' HD12 ' A' ' 6' ' ' LEU . 8.6 mm -88.86 111.86 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 63.25 111.173 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 56' ' ' LEU . 2.6 tt -105.97 114.95 29.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 61.409999999999997 110.74 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -106.41 101.43 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.349999999999994 110.771 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.626 ' CG2' HD21 ' A' ' 56' ' ' LEU . 10.3 p -75.51 -173.77 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 63.229999999999997 110.877 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.95 126.4 30.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 55.329999999999998 111.166 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.59 -28.15 61.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.855 -0.688 . . . . 63.420000000000002 112.435 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -94.73 -170.76 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.695 0.283 . . . . 61.43 110.839 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.96 171.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 74.219999999999999 110.841 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -118.07 58.49 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.093 0.473 . . . . 74.439999999999998 111.041 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -84.7 116.24 23.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.81 -0.632 . . . . 74.340000000000003 110.824 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.56 -31.0 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 54.409999999999997 111.021 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.57 -51.54 68.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 63.43 111.14 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.96 -33.42 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 72.310000000000002 110.838 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -37.99 79.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 74.150000000000006 110.699 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.488 ' OD1' HG23 ' A' ' 103' ' ' VAL . 11.7 t70 -70.0 -28.28 65.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 74.510000000000005 110.348 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -76.02 -45.33 34.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.978 -0.555 . . . . 61.219999999999999 111.104 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -75.54 -48.98 20.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 63.299999999999997 111.064 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.538 ' HE1' ' HG3' ' A' ' 99' ' ' GLN . 8.6 mtt -54.39 -53.29 56.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 74.239999999999995 110.999 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.4 -21.76 51.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 74.209999999999994 111.184 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.8 p -102.76 -3.66 26.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.378 . . . . 62.219999999999999 111.585 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.23 129.04 9.54 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.547 -0.835 . . . . 23.219999999999999 112.688 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.449 ' CB ' HD13 ' A' ' 163' ' ' ILE . 5.2 mm-40 -67.67 -26.73 66.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.723 0.297 . . . . 71.140000000000001 110.847 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.711 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -152.22 -173.96 22.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.821 -0.704 . . . . 65.010000000000005 112.341 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.513 ' CE2' HG23 ' A' ' 100' ' ' ILE . 84.0 m-85 -146.44 134.83 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 74.430000000000007 111.123 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.04 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -116.95 122.3 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 64.430000000000007 110.642 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.84 ' HB3' HD12 ' A' ' 93' ' ' ILE . 61.4 m -97.04 109.04 21.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 110.984 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.4 t -102.41 110.27 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 72.519999999999996 111.006 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.802 ' CD1' HD11 ' A' ' 113' ' ' LEU . 10.8 p90 -123.03 141.3 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 71.239999999999995 110.71 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.2 123.63 31.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 61.219999999999999 110.927 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.828 HD12 ' HB2' ' A' ' 123' ' ' ARG . 19.5 pt -58.91 -29.49 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 35.509999999999998 111.151 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.593 ' ND2' ' HB1' ' A' ' 122' ' ' ALA . 25.7 t-20 -71.35 -29.27 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.524 . . . . 63.43 110.855 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -100.03 117.41 34.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 110.85 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -71.09 -38.76 72.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 55.240000000000002 110.829 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.14 -36.54 77.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 70.349999999999994 110.886 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.0 t -59.14 -31.99 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 43.109999999999999 110.799 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -74.02 -30.31 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 75.310000000000002 110.746 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.88 -29.95 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.409999999999997 110.977 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.507 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 6.1 m-20 -70.02 -32.46 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 74.439999999999998 110.885 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.84 HD12 ' HB3' ' A' ' 80' ' ' CYS . 27.5 mm -61.31 -27.48 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 64.030000000000001 110.845 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -75.45 -55.3 5.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 64.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -30.82 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 71.200000000000003 111.023 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.4 m-85 -62.21 -47.2 85.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 72.219999999999999 110.846 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.404 ' NE ' ' HE2' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -57.86 -43.26 85.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 74.219999999999999 111.032 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.16 -28.43 64.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.253 -0.431 . . . . 72.519999999999996 111.203 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.538 ' HG3' ' HE1' ' A' ' 72' ' ' MET . 0.3 OUTLIER -76.19 -41.74 48.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.464 -0.335 . . . . 72.510000000000005 110.885 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.513 HG23 ' CE2' ' A' ' 78' ' ' PHE . 80.8 mt -56.94 -56.96 11.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 73.230000000000004 110.884 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HE2' ' NE ' ' A' ' 97' ' ' ARG . 0.2 OUTLIER -58.87 -26.5 64.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.010000000000005 110.78 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -57.14 4.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 75.530000000000001 110.99 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.488 HG23 ' OD1' ' A' ' 69' ' ' ASP . 12.3 p -68.93 -36.28 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.42 -0.354 . . . . 75.140000000000001 111.135 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.87 -20.69 57.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 70.430000000000007 111.09 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.03 35.98 12.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.871 0.367 . . . . 73.299999999999997 110.683 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.4 p -138.47 -176.56 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 72.310000000000002 110.862 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.68 -71.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 70.540000000000006 110.778 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.65 82.38 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 64.420000000000002 110.765 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.2 m -98.42 152.9 38.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 52.43 111.315 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.413 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 57.6 Cg_endo -70.69 108.02 2.16 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.695 2.263 . . . . 72.349999999999994 112.352 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.696 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.9 ptp -154.29 167.94 28.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 70.340000000000003 110.898 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.8 t -143.78 152.04 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.140000000000001 111.186 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.802 HD11 ' CD1' ' A' ' 82' ' ' PHE . 9.4 tp -115.06 111.51 21.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 63.240000000000002 110.746 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.662 HG21 HD21 ' A' ' 79' ' ' LEU . 21.3 t -103.02 150.18 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 72.540000000000006 111.199 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.41 78.89 0.24 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 72.219999999999999 112.508 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -59.31 159.55 7.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.314 . . . . 72.019999999999996 110.469 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.58 48.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 72.150000000000006 110.765 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.3 t -110.0 36.19 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 70.549999999999997 110.988 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.571 ' HB2' HG21 ' A' ' 148' ' ' THR . 5.8 p-10 -119.94 -46.2 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.42 . . . . 62.049999999999997 110.967 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -72.85 161.25 30.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.299999999999997 110.861 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -90.91 57.12 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 72.310000000000002 111.075 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.593 ' HB1' ' ND2' ' A' ' 85' ' ' ASN . . . -141.84 69.52 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.319999999999993 111.055 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.828 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -101.17 110.2 22.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 64.530000000000001 110.79 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.3 p -84.31 -49.63 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.120000000000005 110.614 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 30.0 t -88.08 107.61 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.03 -0.532 . . . . 74.319999999999993 110.817 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -54.58 160.65 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 63.399999999999999 111.119 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.9 m -60.69 -41.5 95.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 71.219999999999999 111.059 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -54.39 -46.65 73.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 72.120000000000005 110.963 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -60.29 -41.18 92.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 110.916 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.55 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 63.530000000000001 111.088 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -36.44 73.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 71.310000000000002 110.892 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -57.22 -47.7 80.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 75.310000000000002 110.969 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.547 ' C ' HD13 ' A' ' 133' ' ' LEU . 1.0 OUTLIER -66.83 -51.55 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.299999999999997 110.959 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.532 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -58.15 -43.72 87.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 74.530000000000001 111.257 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -61.04 -40.6 94.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 73.219999999999999 110.935 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.7 t -66.34 -25.65 66.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 65.019999999999996 110.984 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.474 ' CZ ' HD21 ' A' ' 133' ' ' LEU . 6.0 m-30 -84.58 -24.02 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 71.340000000000003 111.222 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.79 15.53 63.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.732 . . . . 75.239999999999995 112.589 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.696 HG21 ' HG3' ' A' ' 111' ' ' MET . 13.4 pt -110.76 153.45 43.67 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 51.130000000000003 111.312 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.59 154.28 68.61 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.561 2.174 . . . . 65.120000000000005 112.253 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -124.59 117.77 25.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 74.439999999999998 110.761 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.807 HD11 HG21 ' A' ' 158' ' ' THR . 2.5 mp -119.43 147.63 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 70.430000000000007 111.102 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -107.69 137.97 44.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 64.409999999999997 110.854 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 20.5 p -152.39 179.6 8.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 70.400000000000006 111.327 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.07 119.13 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.784 -0.644 . . . . 74.439999999999998 110.263 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.903 ' HB3' ' C8 ' ' A' ' 219' ' ' GNP . . . -65.6 -40.82 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 44.25 111.497 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -64.12 -66.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.389 -0.369 . . . . 65.329999999999998 111.185 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.571 HG21 ' HB2' ' A' ' 119' ' ' ASP . 26.9 p -70.38 -23.52 62.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.384 . . . . 70.129999999999995 111.443 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 66.31 67.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 71.319999999999993 110.672 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -116.52 125.1 51.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 64.519999999999996 111.096 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 54.33 25.83 34.84 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.89 -0.672 . . . . 73.230000000000004 112.727 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.61 HG12 ' CD2' ' A' ' 19' ' ' LEU . 31.4 m -61.75 -38.38 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 74.400000000000006 111.194 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.7 mt-10 -73.81 -33.3 64.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.219999999999999 110.93 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -46.56 88.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.140000000000001 110.93 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.63 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -66.49 -41.7 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 61.329999999999998 111.187 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 19.5 m-85 -65.18 -49.68 68.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 74.040000000000006 111.111 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.1 m-85 -55.09 -34.34 63.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 74.219999999999999 111.107 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.807 HG21 HD11 ' A' ' 142' ' ' ILE . 2.3 m -53.6 -39.0 64.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.332 -0.395 . . . . 45.340000000000003 111.161 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 1.04 HD23 HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -59.96 -43.06 95.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.129999999999995 111.024 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.63 HG11 HG13 ' A' ' 46' ' ' ILE . 3.8 t -62.0 -45.19 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 75.329999999999998 111.017 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -62.31 -43.99 97.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 55.020000000000003 111.023 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -58.44 -41.69 85.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 72.209999999999994 110.907 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.449 HD13 ' CB ' ' A' ' 76' ' ' GLU . 92.2 mt -69.58 -47.23 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 65.319999999999993 111.112 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -49.56 74.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 62.049999999999997 111.018 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -20.63 61.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 70.519999999999996 111.186 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.194 -0.908 . . . . 74.230000000000004 110.82 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.903 ' C8 ' ' HB3' ' A' ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.468 ' CG ' HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.949 0.404 . . . . 74.040000000000006 111.288 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.41 145.02 19.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.928 -0.578 . . . . 74.329999999999998 110.859 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -109.47 126.6 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 73.129999999999995 110.78 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.591 ' HB2' HD23 ' A' ' 53' ' ' LEU . 13.0 m-85 -101.72 109.46 21.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 74.209999999999994 111.09 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -82.99 95.77 8.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.140000000000001 110.786 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.657 HD22 ' HG ' ' A' ' 159' ' ' LEU . 41.5 mt -97.34 111.0 23.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 63.439999999999998 111.067 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.512 HG23 ' HA3' ' A' ' 75' ' ' GLY . 60.7 t -85.48 105.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 63.539999999999999 111.07 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.9 t -88.43 138.97 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 64.420000000000002 111.0 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.517 ' O ' HG12 ' A' ' 81' ' ' VAL . 23.6 m -141.17 149.54 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 74.420000000000002 111.062 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.58 -161.36 12.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.637 -0.792 . . . . 52.310000000000002 112.558 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.616 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . -98.87 29.44 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 64.510000000000005 111.12 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.8 -64.19 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 64.450000000000003 112.496 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.42 ' HA2' ' O2A' ' A' ' 219' ' ' GNP . . . -92.81 44.65 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.717 . . . . 73.219999999999999 112.534 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.616 HG13 ' HB3' ' A' ' 11' ' ' ALA . 12.2 m -112.34 -30.2 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.695 0.283 . . . . 54.450000000000003 111.289 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.418 ' HA2' ' O1A' ' A' ' 219' ' ' GNP . . . 111.98 28.75 3.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 71.329999999999998 112.452 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -60.33 -49.53 77.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.675 0.274 . . . . 72.439999999999998 111.058 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -71.52 -29.52 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 23.109999999999999 110.82 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.692 ' HB1' ' HE1' ' A' ' 28' ' ' PHE . . . -60.7 -50.03 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 64.549999999999997 111.096 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.4 mt -57.45 -31.94 66.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 64.340000000000003 110.937 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.41 HG23 HG21 ' A' ' 55' ' ' ILE . 24.6 m -63.57 -58.29 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 61.530000000000001 110.995 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 mm -54.76 -29.67 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 73.310000000000002 111.171 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -65.6 -49.88 67.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 53.119999999999997 110.69 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.44 -6.59 52.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 74.430000000000007 111.36 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 42' ' ' LYS . 24.7 mm -101.99 -74.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.836 0.351 . . . . 73.319999999999993 111.054 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -92.78 -22.51 19.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 73.150000000000006 111.26 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.91 26.78 12.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.407 -0.36 . . . . 72.439999999999998 110.944 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -110.73 -13.66 14.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 70.340000000000003 110.984 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.692 ' HE1' ' HB1' ' A' ' 18' ' ' ALA . 7.3 t80 69.1 139.84 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.441 -0.345 . . . . 75.409999999999997 110.708 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.756 HG21 ' O ' ' A' ' 252' ' ' HOH . 17.0 t -51.75 147.3 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 71.219999999999999 111.09 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -175.22 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.061 -0.518 . . . . 71.219999999999999 111.076 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -152.51 27.69 0.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.5 -0.318 . . . . 74.200000000000003 111.172 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.541 ' CD1' HG13 ' A' ' 29' ' ' VAL . 19.8 p90 -62.04 168.46 3.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 63.340000000000003 110.842 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.05 126.14 80.22 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.052 -0.522 . . . . 75.140000000000001 110.706 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -73.84 -30.54 9.21 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.451 2.101 . . . . 71.140000000000001 112.203 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 88.1 p -62.99 -173.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.129999999999995 110.769 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 35' ' ' SER . 9.3 pt 47.06 -168.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 61.439999999999998 111.529 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.53 -177.07 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.0 110.679 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -113.35 26.52 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 71.140000000000001 111.058 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 t -92.81 141.65 28.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 72.439999999999998 111.018 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -138.01 166.18 24.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.409999999999997 110.839 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -125.81 133.79 51.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 73.540000000000006 110.873 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.45 ' HB2' HD13 ' A' ' 24' ' ' ILE . 6.7 tptp -134.46 132.25 39.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 61.420000000000002 110.966 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -94.59 121.5 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 60.399999999999999 110.84 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 m -143.94 -176.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.309 -0.405 . . . . 65.329999999999998 111.303 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 45' ' ' VAL . 10.8 p -124.23 121.73 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.329999999999998 111.083 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.464 HG13 HG21 ' A' ' 160' ' ' VAL . 11.0 mm -103.21 106.54 20.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 74.25 111.173 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t70 59.56 37.87 22.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 75.129999999999995 110.817 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.79 20.68 63.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.892 -0.671 . . . . 62.210000000000001 112.548 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -126.0 101.17 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 74.040000000000006 110.783 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -60.73 126.08 26.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 71.010000000000005 111.046 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 m -157.77 150.86 23.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 74.209999999999994 110.776 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 1' ' ' MET . 1.4 tp -78.58 152.14 32.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 75.430000000000007 110.769 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.591 HD23 ' HB2' ' A' ' 4' ' ' TYR . 30.6 mt -124.85 88.15 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 65.209999999999994 110.927 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.68 98.0 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 53.520000000000003 110.82 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.504 ' CD1' HD12 ' A' ' 6' ' ' LEU . 24.3 mm -88.9 108.38 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 70.510000000000005 111.071 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.619 HD21 HG22 ' A' ' 58' ' ' THR . 2.6 tt -100.77 125.06 47.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 55.409999999999997 110.788 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -115.36 103.55 10.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 73.430000000000007 110.72 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.619 HG22 HD21 ' A' ' 56' ' ' LEU . 6.1 p -75.49 169.61 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 72.109999999999999 110.821 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.63 156.17 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 52.32 111.159 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.09 -30.4 2.96 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 64.319999999999993 112.397 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -115.05 14.23 17.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.723 0.297 . . . . 54.049999999999997 111.191 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -108.81 -22.42 12.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.459 -0.337 . . . . 72.140000000000001 111.113 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 68.44 -81.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.249 -0.432 . . . . 75.129999999999995 110.755 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 49.52 84.11 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.428 -0.351 . . . . 73.540000000000006 111.151 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.8 p -74.46 -32.29 62.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 71.450000000000003 110.911 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.57 -48.3 82.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 45.340000000000003 111.125 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.08 -30.57 49.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 74.340000000000003 111.011 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -59.13 -37.25 76.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 63.350000000000001 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -71.54 -29.24 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 110.738 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -67.06 -41.18 86.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 74.239999999999995 110.767 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -69.88 -34.08 73.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 73.200000000000003 111.2 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.63 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.8 mtt -62.72 -48.55 78.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 73.200000000000003 111.054 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 68.7 mtp180 -70.13 -19.42 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.439999999999998 111.372 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 p -102.62 -5.81 23.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.579 -0.282 . . . . 74.5 111.29 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.512 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -100.35 117.95 6.03 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.625 -0.798 . . . . 61.039999999999999 112.64 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.36 -27.48 69.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.718 0.294 . . . . 55.399999999999999 110.886 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.614 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -147.92 169.78 28.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 73.099999999999994 112.36 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.582 ' CE1' HG23 ' A' ' 100' ' ' ILE . 74.7 m-85 -131.44 145.27 51.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 74.439999999999998 110.923 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -118.35 121.33 40.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 73.209999999999994 110.902 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.487 ' O ' HD12 ' A' ' 113' ' ' LEU . 42.6 m -96.54 100.01 11.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 53.5 110.827 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 9' ' ' VAL . 6.3 p -106.9 135.78 44.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 71.200000000000003 111.124 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -149.55 167.52 26.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 74.239999999999995 110.887 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.432 ' HB1' ' CD ' ' A' ' 117' ' ' LYS . . . -107.26 124.35 49.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 73.450000000000003 111.104 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.792 HD12 ' HB2' ' A' ' 123' ' ' ARG . 16.1 pt -61.91 -31.61 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 71.219999999999999 110.945 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -66.04 -29.33 69.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 74.140000000000001 110.941 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -108.04 107.44 18.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 72.340000000000003 110.887 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.8 m -63.04 -24.32 67.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 73.329999999999998 111.021 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -40.61 96.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.428 -0.351 . . . . 73.230000000000004 110.733 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.514 ' HA ' ' HB2' ' A' ' 11' ' ' ALA . 95.6 p -59.62 -49.87 76.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 61.200000000000003 110.697 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -58.15 -30.55 66.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 73.400000000000006 110.586 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.95 -29.28 39.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 72.239999999999995 110.875 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.45 ' HA ' ' NE2' ' A' ' 95' ' ' GLN . 91.6 m-20 -76.31 -45.72 31.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 74.239999999999995 110.976 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.454 ' HA ' HD13 ' A' ' 93' ' ' ILE . 2.5 mm -53.08 -27.06 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 120.957 0.408 . . . . 72.430000000000007 110.623 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.58 -52.88 55.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 75.439999999999998 110.709 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.533 ' HG2' ' N ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -68.65 -29.91 68.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 74.519999999999996 110.818 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.533 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 12.0 m-85 -63.48 -42.14 98.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 72.140000000000001 110.715 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.447 ' HG2' ' HE1' ' A' ' 111' ' ' MET . 0.2 OUTLIER -63.73 -31.49 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 74.239999999999995 110.688 179.679 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.28 -37.98 89.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 74.329999999999998 111.047 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -39.15 82.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 74.310000000000002 110.92 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.582 HG23 ' CE1' ' A' ' 78' ' ' PHE . 72.3 mt -60.35 -42.4 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 62.450000000000003 111.091 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -35.96 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 75.319999999999993 111.085 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -58.98 3.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 73.239999999999995 111.116 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.63 HG11 ' HB2' ' A' ' 72' ' ' MET . 57.8 t -59.1 -59.98 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 74.439999999999998 111.116 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -60.42 -25.12 65.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 74.420000000000002 110.862 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.1 t0 62.03 41.49 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 73.209999999999994 110.737 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -158.49 128.31 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 72.040000000000006 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.58 -24.79 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 40.100000000000001 111.137 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -110.61 95.67 5.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 75.140000000000001 111.176 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.532 HG21 ' CG2' ' A' ' 100' ' ' ILE . 29.8 m -121.85 153.44 60.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 72.409999999999997 110.869 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.63 102.5 1.17 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.533 2.156 . . . . 70.430000000000007 112.36 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.792 ' HG3' HG21 ' A' ' 139' ' ' ILE . 10.5 ptp -148.2 174.04 12.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 63.439999999999998 110.815 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.584 HG13 ' HG2' ' A' ' 140' ' ' PRO . 14.8 t -146.88 156.07 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 61.219999999999999 111.262 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 80' ' ' CYS . 3.4 tp -117.61 109.03 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 64.040000000000006 110.881 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.656 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 32.9 t -103.9 144.6 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 70.140000000000001 111.142 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.17 83.11 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 72.299999999999997 112.505 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -60.02 170.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 72.519999999999996 110.918 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.432 ' CD ' ' HB1' ' A' ' 83' ' ' ALA . 9.1 mttt 59.65 63.37 1.52 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 52.439999999999998 110.882 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 16.4 t -104.5 -35.97 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 72.549999999999997 110.992 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.521 ' CG ' HG21 ' A' ' 148' ' ' THR . 28.4 t70 -68.98 -23.61 64.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 74.340000000000003 111.153 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.522 HD21 ' N2 ' ' A' ' 219' ' ' GNP . 40.8 mt -53.65 -179.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.503 -0.317 . . . . 73.0 111.025 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -131.11 28.36 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.376 . . . . 44.119999999999997 111.323 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.26 66.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.339 -0.391 . . . . 74.310000000000002 111.148 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.792 ' HB2' HD12 ' A' ' 84' ' ' ILE . 10.4 ptt180 -92.16 134.05 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.340000000000003 111.052 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.6 p -103.53 -32.64 9.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 71.049999999999997 110.639 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.9 t -101.19 95.88 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.928 -0.578 . . . . 75.099999999999994 110.781 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.58 158.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 64.439999999999998 111.169 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.3 t -54.8 -48.72 72.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 65.140000000000001 111.466 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -34.61 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 73.329999999999998 111.157 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -67.14 -32.15 73.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 62.109999999999999 110.801 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.06 -30.03 39.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 75.049999999999997 111.2 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.98 -30.78 62.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 63.439999999999998 110.983 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.14 -43.55 92.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 70.129999999999995 111.017 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.64 -48.39 48.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 64.109999999999999 110.809 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.469 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -61.28 -45.6 93.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 45.039999999999999 111.073 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -55.68 -42.45 75.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 74.329999999999998 110.91 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.8 t -72.17 -31.21 65.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 54.130000000000003 110.623 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -73.04 -23.7 60.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 72.109999999999999 111.021 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.99 16.13 63.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.67 -0.776 . . . . 75.219999999999999 112.614 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.792 HG21 ' HG3' ' A' ' 111' ' ' MET . 3.2 pt -119.56 157.32 52.14 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 120.723 0.297 . . . . 73.150000000000006 111.341 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.584 ' HG2' HG13 ' A' ' 112' ' ' VAL . 50.3 Cg_endo -69.3 167.3 24.25 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.499 2.132 . . . . 74.329999999999998 112.2 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -134.28 117.05 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 74.219999999999999 110.573 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.619 HD13 ' HA ' ' A' ' 155' ' ' ALA . 1.8 mp -117.4 137.81 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 71.519999999999996 111.329 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -103.98 131.87 50.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 71.109999999999999 110.511 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 22.0 p -148.31 173.44 13.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.947 0.403 . . . . 72.349999999999994 111.436 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.83 135.32 34.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.878 -0.601 . . . . 44.130000000000003 110.791 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.644 ' HB1' ' HE1' ' A' ' 28' ' ' PHE . . . -79.05 -11.28 59.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 73.019999999999996 111.825 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -93.89 -48.54 6.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.358 . . . . 71.340000000000003 111.047 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.521 HG21 ' CG ' ' A' ' 119' ' ' ASP . 20.5 p -95.11 0.83 54.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 63.450000000000003 111.616 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.469 ' HA ' HG21 ' A' ' 152' ' ' VAL . 10.3 ptm180 42.71 54.38 4.6 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.896 0.379 . . . . 65.310000000000002 111.523 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.94 121.15 41.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 73.530000000000001 111.19 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 63.42 13.97 52.29 Favored Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.843 -0.694 . . . . 53.039999999999999 113.173 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.469 HG21 ' HA ' ' A' ' 149' ' ' ARG . 85.1 t -57.53 -54.83 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 116.963 0.382 . . . . 75.129999999999995 110.906 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.416 ' O ' ' CD2' ' A' ' 157' ' ' TYR . 1.7 mt-10 -61.16 -33.03 72.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 71.049999999999997 110.492 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -30.1 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 70.200000000000003 110.831 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.656 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -72.32 -50.42 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 63.350000000000001 111.201 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -63.63 -47.52 81.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 73.349999999999994 111.152 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.445 ' HA ' ' CG1' ' A' ' 160' ' ' VAL . 14.0 m-85 -52.16 -27.25 13.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.575 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.609 HG21 HD11 ' A' ' 142' ' ' ILE . 18.5 m -68.34 -37.85 80.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.351 . . . . 71.209999999999994 111.155 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.657 ' HG ' HD22 ' A' ' 6' ' ' LEU . 17.2 tp -68.14 -51.6 44.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 74.030000000000001 110.708 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.501 HG23 ' CE2' ' A' ' 4' ' ' TYR . 2.2 p -64.64 -34.47 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.177 -0.465 . . . . 65.239999999999995 111.079 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -69.41 -34.06 73.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.902 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.6 -35.95 60.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 72.409999999999997 111.047 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 160' ' ' VAL . 36.2 mt -64.7 -33.13 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 73.109999999999999 111.282 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -53.18 -46.77 69.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 75.530000000000001 111.046 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -65.11 -35.63 81.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 74.010000000000005 110.9 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.322 -0.847 . . . . 73.030000000000001 110.974 179.944 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.592 ' H8 ' H5'1 ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . 0.756 ' O ' HG21 ' A' ' 29' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.485 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.806 0.336 . . . . 74.120000000000005 111.185 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.42 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -95.89 149.77 21.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 64.120000000000005 110.758 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -101.87 128.25 48.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 73.310000000000002 110.747 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.42 ' CE2' ' CG2' ' A' ' 2' ' ' THR . 36.0 m-85 -119.51 104.73 10.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 64.430000000000007 111.032 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 95.86 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.549999999999997 110.618 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.774 HD12 ' CD1' ' A' ' 55' ' ' ILE . 26.5 mt -93.67 113.48 25.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 64.299999999999997 111.155 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.515 HG23 ' HA3' ' A' ' 75' ' ' GLY . 65.3 t -94.75 116.95 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.420000000000002 111.008 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.1 t -91.18 139.7 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.530000000000001 111.08 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.679 HG12 HH22 ' A' ' 68' ' ' ARG . 18.5 m -142.46 160.97 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 62.439999999999998 111.052 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.82 -100.07 0.13 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.704 -0.76 . . . . 52.439999999999998 112.589 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.11 91.92 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 73.200000000000003 111.052 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.14 -80.13 0.2 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 53.200000000000003 112.338 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.473 ' HA3' ' O1A' ' A' ' 219' ' ' GNP . . . -114.97 -78.98 0.81 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.833 -0.699 . . . . 50.109999999999999 112.484 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.849 HG11 ' OG ' ' A' ' 89' ' ' SER . 15.7 m 40.79 31.59 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 112.003 0.372 . . . . 70.049999999999997 112.003 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.2 32.92 29.76 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.872 -0.68 . . . . 74.120000000000005 112.706 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -68.31 -38.76 81.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 75.209999999999994 111.024 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.0 p -81.12 -36.27 30.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 34.100000000000001 111.044 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -52.94 -50.43 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 71.25 111.351 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.607 HD12 HG11 ' A' ' 81' ' ' VAL . 94.3 mt -56.82 -30.98 64.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.351 -0.386 . . . . 74.420000000000002 110.978 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.4 m -72.06 -43.03 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 62.240000000000002 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.6 mm -67.67 -42.69 86.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 73.150000000000006 111.138 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.408 ' HB3' HG11 ' A' ' 152' ' ' VAL . 1.3 tp-100 -59.02 -41.31 87.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 52.149999999999999 110.843 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.513 HD22 ' CD2' ' A' ' 156' ' ' PHE . 37.8 tp -76.77 -10.33 59.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 75.340000000000003 111.334 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 mm -111.64 -74.08 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.694 0.283 . . . . 64.450000000000003 111.508 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -82.36 -19.74 38.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.405 -0.361 . . . . 75.329999999999998 111.603 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 68.7 46.35 0.95 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.871 0.367 . . . . 72.349999999999994 110.913 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -168.1 137.81 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 54.43 110.82 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -62.62 115.96 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 72.010000000000005 110.838 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.415 HG22 ' H ' ' A' ' 32' ' ' TYR . 11.9 p -70.93 -32.93 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 52.109999999999999 111.19 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.1 t0 71.61 -64.66 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.956 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' HB3' ' O3G' ' A' ' 219' ' ' GNP . 1.8 pt-20 -175.18 69.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 71.209999999999994 110.781 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.415 ' H ' HG22 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -146.29 119.37 8.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 74.200000000000003 110.904 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.9 115.08 6.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 62.130000000000003 110.715 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.64 72.47 6.5 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.557 2.172 . . . . 74.040000000000006 112.534 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.8 m 55.44 36.93 28.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 52.240000000000002 110.974 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 pt -111.27 167.82 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 44.32 111.228 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -102.75 28.87 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.944 -0.571 . . . . 75.340000000000003 110.998 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 59.3 22.75 11.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 74.310000000000002 111.202 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 t -105.41 140.99 37.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.329 -0.396 . . . . 43.549999999999997 110.983 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -145.95 171.83 14.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 74.230000000000004 110.93 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -134.39 159.68 40.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 61.43 110.846 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -155.88 147.04 22.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.140000000000001 110.937 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -111.28 120.14 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 70.340000000000003 110.826 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 m -139.41 -178.88 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.349999999999994 111.075 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -124.29 100.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 64.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.643 ' CD1' HG21 ' A' ' 160' ' ' VAL . 18.6 mt -115.37 128.17 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 72.310000000000002 110.941 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 68.31 31.89 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 74.230000000000004 110.915 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.21 31.22 78.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 40.340000000000003 112.631 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.52 112.42 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 73.109999999999999 110.835 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -62.3 125.09 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 44.219999999999999 110.801 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.5 m -146.63 151.17 36.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 72.040000000000006 110.892 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.485 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -85.14 145.17 27.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 64.549999999999997 110.825 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.6 95.66 5.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 62.109999999999999 110.942 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.98 94.96 10.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.885 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.774 ' CD1' HD12 ' A' ' 6' ' ' LEU . 22.0 mm -91.35 108.39 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 73.209999999999994 111.101 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.518 HD21 HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -105.17 119.61 39.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 52.210000000000001 110.717 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.45 105.0 16.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 65.230000000000004 110.848 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.518 HG22 HD21 ' A' ' 56' ' ' LEU . 7.9 p -79.03 -173.91 3.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 73.510000000000005 110.839 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.11 162.76 13.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.099 0.476 . . . . 54.32 111.376 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.01 -82.31 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.658 -0.701 . . . . 50.219999999999999 112.497 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -129.86 -76.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.758 0.313 . . . . 62.399999999999999 110.696 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 53.05 28.03 6.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 65.230000000000004 111.161 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.16 30.5 20.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 74.019999999999996 110.966 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -109.78 110.82 21.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 75.329999999999998 110.987 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 p -122.74 -39.41 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 71.319999999999993 110.982 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.07 -57.84 8.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.369 -0.378 . . . . 61.229999999999997 111.276 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -58.73 -27.49 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 72.549999999999997 110.965 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.679 HH22 HG12 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -61.62 -34.54 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 75.420000000000002 110.998 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -73.0 -30.24 63.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 62.0 110.763 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.621 ' O ' HG23 ' A' ' 74' ' ' THR . 0.0 OUTLIER -72.55 -54.94 7.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 70.109999999999999 110.897 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -63.7 -37.68 88.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 74.439999999999998 111.034 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.557 ' HB3' HG11 ' A' ' 103' ' ' VAL . 11.4 mtt -69.09 -38.82 79.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.140000000000001 110.982 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.495 ' HG3' HG13 ' A' ' 103' ' ' VAL . 60.8 mtp180 -72.67 -13.7 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.430000000000007 111.325 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 70' ' ' GLN . 73.9 p -101.84 -15.99 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.544 -0.298 . . . . 63.32 111.375 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.515 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -84.11 124.83 6.82 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.631 -0.795 . . . . 61.109999999999999 112.741 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.51 -19.21 59.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.687 0.279 . . . . 65.349999999999994 110.958 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.456 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -147.63 150.41 22.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.858 -0.687 . . . . 64.420000000000002 112.269 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.517 ' CE2' HG23 ' A' ' 100' ' ' ILE . 29.1 m-85 -118.91 135.16 54.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 64.239999999999995 111.095 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.91 120.23 37.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.209999999999994 110.857 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.656 ' HB3' HD12 ' A' ' 93' ' ' ILE . 3.9 m -96.84 103.76 15.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 72.209999999999994 110.93 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.607 HG11 HD12 ' A' ' 19' ' ' LEU . 46.8 t -101.94 108.29 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 71.140000000000001 111.189 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.22 153.42 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 75.010000000000005 110.714 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' HB2' ' HE3' ' A' ' 117' ' ' LYS . . . -95.41 123.67 39.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.235 -0.439 . . . . 63.020000000000003 110.996 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.681 HD12 ' HB3' ' A' ' 123' ' ' ARG . 2.4 pt -60.59 -21.61 23.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 71.400000000000006 111.261 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -85.44 -24.76 27.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 71.25 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.82 99.02 8.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 71.109999999999999 110.902 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.46 HG23 HG22 ' A' ' 125' ' ' VAL . 7.9 m -62.96 -26.76 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 70.120000000000005 110.92 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -54.45 -43.55 71.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 72.349999999999994 111.012 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.849 ' OG ' HG11 ' A' ' 14' ' ' VAL . 3.7 t -55.38 -46.6 76.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 75.310000000000002 111.001 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.15 -27.03 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 72.239999999999995 111.143 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.66 -40.91 63.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 72.430000000000007 110.931 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.22 -33.59 59.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 61.43 111.023 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' A' ' 80' ' ' CYS . 25.8 mm -50.57 -40.43 19.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.394 -0.366 . . . . 55.43 110.811 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -76.62 -40.52 49.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 64.329999999999998 110.363 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -51.2 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 73.409999999999997 110.893 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -59.58 -32.28 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 54.350000000000001 111.004 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -44.85 93.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 73.329999999999998 110.967 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.0 -35.19 68.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 65.340000000000003 111.008 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.746 ' O ' HG23 ' A' ' 103' ' ' VAL . 37.8 mt-30 -71.94 -36.53 69.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 63.409999999999997 110.767 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.64 ' CG2' HG21 ' A' ' 109' ' ' VAL . 88.0 mt -58.88 -46.06 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 73.540000000000006 111.14 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -44.56 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 65.5 110.94 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -68.38 -40.46 81.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 63.229999999999997 111.428 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 99' ' ' GLN . 59.5 t -50.9 -49.88 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 43.119999999999997 111.418 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HG3' ' CG1' ' A' ' 109' ' ' VAL . 0.0 OUTLIER -105.89 7.2 32.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.443 -0.344 . . . . 61.409999999999997 111.416 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t70 46.94 63.87 1.77 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.818 0.342 . . . . 73.230000000000004 111.281 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.75 146.09 0.43 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 34.43 110.842 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -77.53 -51.64 10.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 62.43 110.916 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -77.63 79.63 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 111.02 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.64 HG21 ' CG2' ' A' ' 100' ' ' ILE . 9.1 m -107.54 149.76 39.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 111.029 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.406 ' HB2' HG12 ' A' ' 163' ' ' ILE . 47.3 Cg_endo -68.59 108.97 1.96 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.563 2.176 . . . . 73.209999999999994 112.14 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.535 ' HG3' HG21 ' A' ' 139' ' ' ILE . 9.8 ptp -156.71 173.56 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 72.219999999999999 110.994 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.586 HG13 ' HG2' ' A' ' 140' ' ' PRO . 9.6 t -147.82 156.91 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 73.329999999999998 111.055 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 134' ' ' ALA . 6.9 tp -121.4 102.92 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 54.240000000000002 110.798 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.766 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 18.1 t -96.99 152.73 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 51.549999999999997 111.125 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.79 90.62 0.47 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.729 . . . . 63.219999999999999 112.425 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -68.91 173.58 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 73.310000000000002 110.837 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' ' 83' ' ' ALA . 19.4 mttt 62.35 69.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.299999999999997 110.915 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.6 t -109.14 -25.11 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 52.549999999999997 111.14 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -53.72 -66.94 0.3 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.41 -0.359 . . . . 75.239999999999995 110.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.708 HD13 ' H ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -50.0 173.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 73.549999999999997 111.272 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.27 40.86 3.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 65.120000000000005 111.184 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -121.77 61.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 72.420000000000002 111.057 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.681 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -83.22 98.64 9.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.108 -0.496 . . . . 72.010000000000005 111.164 -179.786 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.5 p -69.71 -28.12 65.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 71.219999999999999 110.661 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.46 HG22 HG23 ' A' ' 87' ' ' THR . 94.6 t -105.56 110.89 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 116.151 -0.477 . . . . 73.25 110.832 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.91 160.69 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 63.43 110.977 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.2 p -66.44 -33.19 75.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 110.754 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -57.92 -45.4 86.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.129999999999995 110.766 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -65.68 -42.35 91.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 64.329999999999998 110.809 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.05 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 51.229999999999997 110.994 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.86 -36.29 81.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 73.230000000000004 110.871 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.68 -36.8 77.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.420000000000002 110.782 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.403 HD11 ' OH ' ' A' ' 137' ' ' TYR . 24.2 tp -76.3 -51.19 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 74.420000000000002 110.771 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.518 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -61.43 -42.99 99.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 60.450000000000003 111.076 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -62.28 -27.67 69.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 74.519999999999996 111.188 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -30.53 60.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 73.150000000000006 110.783 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.535 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.0 m-85 -85.41 -10.03 56.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 73.310000000000002 111.326 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.63 24.19 76.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.635 -0.793 . . . . 60.350000000000001 112.362 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.535 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.3 pt -113.9 157.3 42.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 54.009999999999998 111.524 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.586 ' HG2' HG13 ' A' ' 112' ' ' VAL . 61.2 Cg_endo -73.13 147.59 42.99 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.593 2.195 . . . . 73.010000000000005 112.138 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -116.88 102.4 9.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 63.5 110.734 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 1.046 HD11 HG21 ' A' ' 158' ' ' THR . 3.0 mp -104.46 150.31 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 73.409999999999997 111.192 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -119.52 129.85 54.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 74.209999999999994 110.869 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 151' ' ' GLY . 22.2 p -134.89 -177.93 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 70.540000000000006 111.118 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.1 p -152.33 118.27 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 70.420000000000002 110.649 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -74.73 -24.61 58.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.37 -0.377 . . . . 63.240000000000002 111.35 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -76.08 -52.48 10.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.383 -0.372 . . . . 70.310000000000002 110.986 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p -90.64 -16.11 29.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.4 . . . . 51.140000000000001 111.488 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.498 ' HG2' HG21 ' A' ' 152' ' ' VAL . 3.2 tmt_? 64.35 70.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 61.409999999999997 110.622 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.05 124.49 44.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 74.5 111.061 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.532 ' O ' HG22 ' A' ' 144' ' ' THR . . . 51.93 26.04 17.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.985 -0.626 . . . . 72.310000000000002 112.897 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.498 HG21 ' HG2' ' A' ' 149' ' ' ARG . 22.4 t -58.61 -54.85 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 60.039999999999999 111.25 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.416 ' HG2' HD13 ' A' ' 23' ' ' LEU . 25.5 mt-10 -65.16 -27.65 68.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 64.340000000000003 111.101 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -57.69 -57.4 12.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.358 -0.383 . . . . 70.019999999999996 111.067 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.766 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -51.67 -38.88 56.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 73.439999999999998 111.364 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.513 ' CD2' HD22 ' A' ' 23' ' ' LEU . 43.8 m-85 -70.43 -49.49 48.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 65.219999999999999 110.873 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.5 m-85 -57.5 -30.25 64.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 75.510000000000005 110.878 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 1.046 HG21 HD11 ' A' ' 142' ' ' ILE . 35.7 m -60.38 -37.45 80.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 110.852 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.559 ' CD2' HD22 ' A' ' 6' ' ' LEU . 46.0 tp -63.07 -43.67 97.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 34.409999999999997 110.824 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.643 HG21 ' CD1' ' A' ' 46' ' ' ILE . 23.3 t -53.77 -40.04 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 72.129999999999995 111.136 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -31.23 68.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 75.200000000000003 110.775 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.68 -48.17 34.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 74.329999999999998 110.776 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.456 HD11 ' HA3' ' A' ' 77' ' ' GLY . 67.5 mt -60.85 -55.61 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.285 -0.416 . . . . 74.439999999999998 111.271 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -40.18 74.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 74.319999999999993 110.869 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.62 -21.43 66.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 74.5 111.036 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.229 -0.891 . . . . 63.340000000000003 110.831 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.473 ' O1A' ' HA3' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.68 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 121.032 0.444 . . . . 74.430000000000007 111.308 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.97 149.73 31.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.717 -0.674 . . . . 64.140000000000001 110.81 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -110.1 122.27 47.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 54.439999999999998 110.727 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -107.66 128.08 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 70.329999999999998 110.937 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.38 92.04 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 60.43 110.905 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.401 HD22 HD13 ' A' ' 159' ' ' LEU . 9.3 mt -105.92 128.47 53.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 75.049999999999997 110.84 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.444 ' CG2' ' CD2' ' A' ' 78' ' ' PHE . 5.4 m -107.25 135.63 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 51.310000000000002 111.276 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -109.62 117.65 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.139 -0.482 . . . . 71.430000000000007 111.146 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -105.67 174.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 63.409999999999997 110.993 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.33 -178.05 40.36 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.566 -0.826 . . . . 73.310000000000002 112.655 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.66 25.36 10.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.795 0.331 . . . . 72.430000000000007 111.219 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.62 110.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.654 -0.784 . . . . 70.519999999999996 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' H5'2 ' A' ' 219' ' ' GNP . . . 94.91 -18.11 57.94 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 50.210000000000001 112.762 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 81' ' ' VAL . 29.4 m -60.8 -30.73 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 32.409999999999997 111.053 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.64 28.07 4.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 43.25 112.532 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -43.1 93.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 74.430000000000007 110.981 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -67.29 -32.21 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 54.25 110.904 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.658 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -63.5 -56.75 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 73.230000000000004 111.146 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.681 HD22 HG13 ' A' ' 152' ' ' VAL . 76.8 mt -56.16 -39.54 72.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 73.129999999999995 111.03 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.558 HG23 HG21 ' A' ' 55' ' ' ILE . 61.1 m -61.19 -61.42 2.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 71.319999999999993 110.724 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.561 HG21 ' CE1' ' A' ' 27' ' ' HIS . 48.4 mm -59.87 -31.09 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 73.340000000000003 110.957 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -59.22 -49.53 77.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 43.009999999999998 110.918 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.1 tp -70.23 -46.19 64.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 73.219999999999999 110.941 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.5 mm -59.62 -62.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 75.329999999999998 111.155 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 44.5 mt-30 -104.58 -99.47 0.32 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.445 -0.343 . . . . 64.109999999999999 111.063 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 8.2 p30 161.94 68.03 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.751 0.31 . . . . 73.519999999999996 110.694 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.561 ' CE1' HG21 ' A' ' 21' ' ' ILE . 15.0 p80 -174.26 152.1 1.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.903 0.383 . . . . 72.120000000000005 111.151 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.764 ' CZ ' " H2'" ' A' ' 219' ' ' GNP . 0.3 OUTLIER -73.23 91.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 74.340000000000003 110.552 179.632 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG22 ' CD1' ' A' ' 32' ' ' TYR . 1.6 p -49.42 149.48 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 51.420000000000002 111.217 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 45.9 t0 179.58 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 64.310000000000002 110.968 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -90.0 46.02 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 74.310000000000002 111.111 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.57 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -147.12 167.98 22.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 71.140000000000001 110.757 179.803 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -53.94 130.74 58.06 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.052 -0.522 . . . . 62.200000000000003 110.89 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -74.29 -46.84 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.479 2.119 . . . . 62.130000000000003 112.541 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -115.49 107.52 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 72.329999999999998 110.974 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.556 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.3 pp -155.76 167.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 74.109999999999999 111.499 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -108.2 17.94 21.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 71.409999999999997 111.149 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -76.99 59.39 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 74.030000000000001 110.608 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 p -53.97 175.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 72.450000000000003 111.044 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -143.67 162.93 34.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.292 -0.413 . . . . 61.109999999999999 110.883 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -140.41 130.09 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 75.230000000000004 110.72 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -119.16 149.56 41.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.25 110.915 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.441 ' HG3' HD22 ' A' ' 52' ' ' LEU . 28.7 tt0 -101.63 118.71 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 75.540000000000006 110.691 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG21 HD11 ' A' ' 53' ' ' LEU . 35.9 m -129.5 -178.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 50.329999999999998 111.096 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 t -122.5 101.45 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 61.310000000000002 111.185 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.547 HG13 HG11 ' A' ' 160' ' ' VAL . 11.7 mm -82.54 100.97 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 70.140000000000001 111.023 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t70 59.35 35.96 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.329999999999998 111.031 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.49 -25.34 25.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.655 -0.783 . . . . 63.549999999999997 112.581 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.98 115.33 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 62.32 110.916 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.2 m -76.41 122.29 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 70.120000000000005 110.876 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.3 m -150.33 146.89 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.099999999999994 110.859 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.68 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.5 OUTLIER -78.99 146.08 33.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.040000000000006 110.989 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD11 HG21 ' A' ' 44' ' ' VAL . 63.9 mt -123.66 90.24 3.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 73.019999999999996 110.741 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.05 94.71 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 71.239999999999995 111.063 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.558 HG21 HG23 ' A' ' 20' ' ' THR . 35.6 mm -81.19 112.2 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.140000000000001 110.906 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.695 HD23 ' C ' ' A' ' 56' ' ' LEU . 3.9 tt -95.67 123.94 39.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 71.129999999999995 110.787 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -92.2 121.38 33.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 71.310000000000002 110.702 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.03 178.88 5.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 70.150000000000006 110.796 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.66 157.44 20.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 65.109999999999999 111.129 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.93 -51.58 0.56 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 75.209999999999994 112.404 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -135.41 12.28 3.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.549 0.214 . . . . 64.420000000000002 111.274 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -80.04 163.97 23.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.892 0.377 . . . . 53.210000000000001 110.97 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.84 114.19 28.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 60.409999999999997 110.836 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -159.04 176.23 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 75.030000000000001 110.875 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -173.6 -51.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 72.420000000000002 111.025 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.03 -54.96 27.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 72.010000000000005 111.202 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mtm -74.69 -22.45 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 111.041 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -58.19 -24.3 58.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.451 -0.34 . . . . 72.519999999999996 111.09 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.98 -37.38 26.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 65.120000000000005 111.177 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.714 ' O ' HG23 ' A' ' 74' ' ' THR . 3.0 pt20 -62.36 -36.91 83.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.351 -0.386 . . . . 70.209999999999994 111.006 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -36.27 67.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 60.100000000000001 110.726 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.555 ' CB ' HG11 ' A' ' 103' ' ' VAL . 1.1 mtt -68.21 -38.12 81.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 62.509999999999998 110.671 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' HG2' HG13 ' A' ' 103' ' ' VAL . 1.2 mmt180 -70.61 -11.61 61.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.299999999999997 111.144 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 70' ' ' GLN . 70.6 p -101.71 -15.45 16.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.771 0.32 . . . . 52.450000000000003 111.249 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.36 111.92 4.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.599 -0.81 . . . . 74.530000000000001 112.75 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.1 -28.62 64.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.825 0.345 . . . . 55.329999999999998 110.856 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.432 ' O ' HG22 ' A' ' 7' ' ' VAL . . . -141.16 176.42 21.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.799 -0.715 . . . . 25.129999999999999 112.324 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.48 ' CE1' HG23 ' A' ' 100' ' ' ILE . 77.0 m-85 -140.19 137.34 34.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 75.109999999999999 110.977 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.594 HD13 HD12 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -117.33 123.45 46.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 51.420000000000002 110.732 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.8 ' HB3' HD12 ' A' ' 93' ' ' ILE . 15.2 m -96.43 105.87 18.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 73.109999999999999 111.027 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.428 ' O ' HG21 ' A' ' 14' ' ' VAL . 46.6 t -97.07 106.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 111.037 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.446 ' CD1' HD11 ' A' ' 113' ' ' LEU . 2.6 p90 -122.93 146.8 47.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 70.349999999999994 110.688 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 123.53 35.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 62.140000000000001 111.199 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.619 HD13 ' HD2' ' A' ' 123' ' ' ARG . 1.2 pp -62.21 -24.28 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 71.030000000000001 111.059 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.657 ' OD1' ' HB3' ' A' ' 122' ' ' ALA . 26.7 t30 -81.76 -16.56 50.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 54.100000000000001 111.152 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -118.58 100.22 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.791 0.329 . . . . 74.150000000000006 110.813 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.85 -31.92 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 33.340000000000003 110.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -53.52 -39.24 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 70.150000000000006 110.847 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.6 p -60.18 -43.87 95.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 74.329999999999998 110.506 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -59.09 -27.67 65.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 55.549999999999997 110.591 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.01 -34.76 66.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 71.430000000000007 110.714 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 11.1 m-20 -76.23 -31.36 58.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 75.109999999999999 110.989 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.8 HD12 ' HB3' ' A' ' 80' ' ' CYS . 29.9 mm -59.72 -31.7 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.445 -0.343 . . . . 75.430000000000007 110.714 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -70.91 -55.36 8.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 75.140000000000001 110.971 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -67.38 -28.75 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 74.329999999999998 111.037 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 3.2 m-85 -68.23 -49.7 58.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.388 -0.369 . . . . 65.230000000000004 110.695 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.574 HH22 HD22 ' A' ' 113' ' ' LEU . 1.8 tpp180 -52.32 -38.21 57.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 73.299999999999997 111.127 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.27 -36.29 77.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 62.32 110.906 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.492 ' HB3' ' HE3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -60.68 -36.81 79.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 75.230000000000004 110.898 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.513 ' CG2' HG21 ' A' ' 109' ' ' VAL . 20.0 mt -70.22 -40.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.329999999999998 111.081 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.664 ' HZ2' HG22 ' A' ' 109' ' ' VAL . 35.5 mmtt -55.77 -40.01 72.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 71.150000000000006 111.108 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -65.25 -55.66 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 70.540000000000006 110.747 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.555 HG11 ' CB ' ' A' ' 72' ' ' MET . 51.4 t -55.94 -52.86 44.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 74.409999999999997 111.088 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.08 -18.49 61.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 63.219999999999999 110.851 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.2 t0 62.6 31.88 16.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.947 0.403 . . . . 74.319999999999993 110.745 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 p -158.42 135.5 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.982 -0.554 . . . . 61.32 110.765 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.8 -24.13 62.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 71.329999999999998 111.045 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -102.14 89.87 3.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 61.32 110.945 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.664 HG22 ' HZ2' ' A' ' 101' ' ' LYS . 16.0 m -118.41 151.43 49.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 70.340000000000003 111.092 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.03 104.7 1.24 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.595 2.197 . . . . 72.409999999999997 112.278 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.646 ' HG3' HG21 ' A' ' 139' ' ' ILE . 12.1 ptp -151.67 172.29 16.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 62.119999999999997 110.887 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.444 HG11 HD13 ' A' ' 142' ' ' ILE . 16.9 t -145.81 154.57 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 44.240000000000002 111.187 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.574 HD22 HH22 ' A' ' 97' ' ' ARG . 6.4 tp -112.15 108.83 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 63.210000000000001 110.764 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.981 HG22 ' HB1' ' A' ' 155' ' ' ALA . 14.1 t -94.71 126.08 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 71.430000000000007 111.221 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.64 72.59 0.77 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.819 -0.705 . . . . 70.439999999999998 112.495 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.531 HD21 ' HB2' ' A' ' 146' ' ' ALA . 4.0 t-20 -60.24 173.01 0.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 72.140000000000001 110.923 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.529 ' CA ' HD23 ' A' ' 120' ' ' LEU . 12.9 mttt 59.74 46.74 11.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.924 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.5 t -83.27 -29.0 28.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 71.340000000000003 110.983 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -76.42 -13.9 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 70.230000000000004 111.363 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.529 HD23 ' CA ' ' A' ' 117' ' ' LYS . 4.1 mm? -52.59 161.37 0.72 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.767 0.318 . . . . 63.450000000000003 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -107.01 27.46 8.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 73.030000000000001 111.446 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.657 ' HB3' ' OD1' ' A' ' 85' ' ' ASN . . . -145.81 63.3 1.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 21.210000000000001 111.139 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.619 ' HD2' HD13 ' A' ' 84' ' ' ILE . 5.6 mmm-85 -63.34 91.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 73.219999999999999 110.997 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.443 HG21 ' O ' ' A' ' 85' ' ' ASN . 21.8 p -79.52 -30.65 41.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 73.219999999999999 110.865 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.62 100.09 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.255 -0.429 . . . . 65.530000000000001 110.907 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.21 159.97 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 64.299999999999997 110.909 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -29.43 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 71.439999999999998 110.975 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.4 tpt85 -60.0 -47.78 84.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 72.329999999999998 110.913 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -65.04 -42.62 94.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 72.430000000000007 111.096 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.472 ' HB1' ' CE1' ' A' ' 141' ' ' TYR . . . -68.49 -37.33 80.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.37 . . . . 73.439999999999998 111.101 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -31.31 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 110.839 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.21 -35.92 82.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.420000000000002 110.797 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 137' ' ' TYR . 24.6 tp -75.83 -51.47 12.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 64.109999999999999 110.931 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.02 96.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 65.209999999999994 111.303 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -57.18 -34.72 68.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 62.329999999999998 111.14 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.6 t -73.16 -30.89 63.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 73.230000000000004 110.787 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.421 ' CE2' HD11 ' A' ' 133' ' ' LEU . 20.0 m-85 -84.91 -18.97 33.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 73.340000000000003 111.11 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.48 16.84 65.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.671 -0.776 . . . . 72.010000000000005 112.548 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.646 HG21 ' HG3' ' A' ' 111' ' ' MET . 25.5 pt -107.77 152.91 41.75 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 72.209999999999994 111.324 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.443 ' HG2' HG22 ' A' ' 112' ' ' VAL . 44.7 Cg_endo -68.32 167.41 22.29 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.556 2.171 . . . . 73.209999999999994 112.388 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.472 ' CE1' ' HB1' ' A' ' 130' ' ' ALA . 50.9 t80 -143.82 121.55 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.049999999999997 110.825 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.834 HD11 HG21 ' A' ' 158' ' ' THR . 5.2 mp -127.85 148.62 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.310000000000002 111.02 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -111.35 134.47 52.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 65.439999999999998 110.575 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 151' ' ' GLY . 12.2 p -145.15 -177.55 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.976 0.417 . . . . 71.230000000000004 111.267 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.6 p -149.42 124.57 10.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 72.120000000000005 110.633 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.658 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -71.83 -33.5 68.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 52.130000000000003 111.355 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -76.14 -52.42 10.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 75.310000000000002 111.102 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -24.36 40.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.31 -0.405 . . . . 62.43 111.248 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 64.88 58.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 74.310000000000002 110.709 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -111.74 126.11 54.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.523 . . . . 71.319999999999993 111.017 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 144' ' ' THR . . . 52.57 23.71 15.06 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.9 -0.667 . . . . 43.439999999999998 112.994 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.681 HG13 HD22 ' A' ' 19' ' ' LEU . 26.2 t -57.73 -54.91 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.884 0.373 . . . . 64.340000000000003 111.035 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.43 -25.44 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 71.310000000000002 110.948 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -56.39 22.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.417 . . . . 72.120000000000005 110.961 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.981 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -55.98 -38.45 70.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 60.32 111.153 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -66.69 -50.29 63.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 73.530000000000001 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -58.25 -31.34 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 75.109999999999999 111.006 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.834 HG21 HD11 ' A' ' 142' ' ' ILE . 77.4 m -58.31 -36.63 73.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 63.520000000000003 111.016 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.594 HD12 HD13 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -63.3 -46.87 84.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.530000000000001 110.976 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.547 HG11 HG13 ' A' ' 46' ' ' ILE . 13.7 t -55.48 -46.21 78.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.199 -0.455 . . . . 74.099999999999994 111.104 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -35.7 75.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 54.130000000000003 110.795 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.24 -53.53 29.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 73.140000000000001 110.963 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.441 ' CD1' HD22 ' A' ' 159' ' ' LEU . 79.7 mt -58.45 -38.29 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.168 -0.469 . . . . 70.439999999999998 111.265 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -56.75 -42.11 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 74.319999999999993 110.908 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -64.28 -39.21 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 70.340000000000003 110.816 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.183 -0.913 . . . . 70.409999999999997 110.797 179.912 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 219' ' ' GNP . . . . . 0.837 " H3'" ' H8 ' ' A' ' 219' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 246' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_